(9Z)-9-benzylidene-4,10-dithia-1-azatetracyclo[9.7.0.03,7.012,17]octadeca-3(7),5,12,14,16-pentaene-8,18-dione
Formula:C22H15NO2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(9Z)-9-benzylidene-4,10-dithia-1-azatetracyclo[9.7.0.03,7.012,17]octadeca-3(7),5,12,14,16-pentaene-8,18-dione is a drug-like molecule.
| MolName | (9Z)-9-benzylidene-4,10-dithia-1-azatetracyclo[9.7.0.03,7.012,17]octadeca-3(7),5,12,14,16-pentaene-8,18-dione |
| MolecularFormula | C22H15NO2S2 |
| Smiles | O=C(c1c2cccc1)N(Cc(scc1)c1C1=O)C2S/C1=C\c1ccccc1 |
| InChI | InChI=1S/C22H15NO2S2/c24-20-17-10-11-26-19(17)13-23-21(25)15-8-4-5-9-16(15)22(23)27-18(20)12-14-6-2-1-3-7-14/h1-12,22H,13H2/t22-/m0/s1 |
| InChIK | YOALXIDWTXMNLX-QFIPXVFZSA-N |
| TotalMolweight | 389.498 |
| Molweight | 389.498 |
| MonoisotopicMass | 389.054419 |
| CLogP | 4.2807 |
| CLogS | -5.532 |
| H Acceptors | 3 |
| TotalSurfaceArea | 275.98 |
| Relative PSA | 0.24451 |
| PolarSurfaceArea | 90.92 |
| Druglikeness | 5.0877 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 1 |
| Rings Closures | 5 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (9Z)-9-benzylidene-4,10-dithia-1-azatetracyclo[9.7.0.03,7.012,17]octadeca-3(7),5,12,14,16-pentaene-8,18-dione | 2 - (9Z)-9-benzylidene-4,10-dithia-1-azatetracyclo[9.7.0.03,7.012,17]octadeca-3(7),5,12,14,16-pentaene-8,18-dione
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