(10Z)-10-benzylidene-11-thia-1-azatetracyclo[10.7.0.03,8.013,18]nonadeca-3,5,7,13,15,17-hexaene-9,19-dione
Formula:C24H17NO2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(10Z)-10-benzylidene-11-thia-1-azatetracyclo[10.7.0.03,8.013,18]nonadeca-3,5,7,13,15,17-hexaene-9,19-dione is a drug-like molecule.
| MolName | (10Z)-10-benzylidene-11-thia-1-azatetracyclo[10.7.0.03,8.013,18]nonadeca-3,5,7,13,15,17-hexaene-9,19-dione |
| MolecularFormula | C24H17NO2S |
| Smiles | O=C(c1c2cccc1)N(Cc(cccc1)c1C1=O)C2S/C1=C\c1ccccc1 |
| InChI | InChI=1S/C24H17NO2S/c26-22-18-11-5-4-10-17(18)15-25-23(27)19-12-6-7-13-20(19)24(25)28-21(22)14-16-8-2-1-3-9-16/h1-14,24H,15H2/t24-/m0/s1 |
| InChIK | OBTIZVGWSIRFCL-DEOSSOPVSA-N |
| TotalMolweight | 383.47 |
| Molweight | 383.47 |
| MonoisotopicMass | 383.097999 |
| CLogP | 4.4141 |
| CLogS | -5.522 |
| H Acceptors | 3 |
| TotalSurfaceArea | 280.04 |
| Relative PSA | 0.16826 |
| PolarSurfaceArea | 62.68 |
| Druglikeness | 4.6963 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.42857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 1 |
| Rings Closures | 5 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (10Z)-10-benzylidene-11-thia-1-azatetracyclo[10.7.0.03,8.013,18]nonadeca-3,5,7,13,15,17-hexaene-9,19-dione | 2 - (10Z)-10-benzylidene-11-thia-1-azatetracyclo[10.7.0.03,8.013,18]nonadeca-3,5,7,13,15,17-hexaene-9,19-dione
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