Mrv1572004221604542D          

 23 24  0  0  0  0            999 V2000
    0.4323    0.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9892    3.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2731    0.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9626   -0.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7751   -2.5015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4895   -2.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0606   -2.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4895   -1.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0606   -1.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7410    2.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9303    0.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7751   -0.8515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4929    0.7488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875   -0.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8357    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7751   -0.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0232    1.3808    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1178    0.4623    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6804    0.8920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8697   -0.9450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    1.8695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2713    2.7880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4606    0.9510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  2  0  0  0  0
 12  8  2  0  0  0  0
 12  9  1  0  0  0  0
 16  4  1  0  0  0  0
 16 12  1  0  0  0  0
 16 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 10  1  0  0  0  0
 17 13  1  0  0  0  0
 17 15  1  0  0  0  0
 18 11  1  0  0  0  0
 18 14  1  0  0  0  0
 18 15  1  0  0  0  0
 19 13  2  0  0  0  0
 20 14  2  0  0  0  0
 21 15  2  0  0  0  0
 22  2  1  0  0  0  0
 22 10  1  0  0  0  0
 23  3  1  0  0  0  0
 23 11  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM018511

> <DATABASE_NAME>
chemdb

> <SMILES>
CCC1(C(=O)N(COC)C(=O)N(COC)C1=O)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C16H20N2O5/c1-4-16(12-8-6-5-7-9-12)13(19)17(10-22-2)15(21)18(11-23-3)14(16)20/h5-9H,4,10-11H2,1-3H3

> <INCHI_KEY>
DACOQFZGGLCXMA-UHFFFAOYSA-N

> <FORMULA>
C16H20N2O5

> <MOLECULAR_WEIGHT>
320.345

> <EXACT_MASS>
320.137221752

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
32.94617058003643

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5-ethyl-1,3-bis(methoxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione

> <ALOGPS_LOGP>
1.40

> <JCHEM_LOGP>
1.9799331273333336

> <ALOGPS_LOGS>
-2.42

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.9101198830749317

> <JCHEM_POLAR_SURFACE_AREA>
76.15

> <JCHEM_REFRACTIVITY>
81.24569999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.22e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
antilon

> <JCHEM_VEBER_RULE>
0

> <NAME>
Eterobarb

> <CAS>
27511-99-5

$$$$