N-[(Z)-(4-chlorophenyl)methylideneamino]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
Formula:C20H15N2OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-(4-chlorophenyl)methylideneamino]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide |
| MolecularFormula | C20H15N2OClS |
| Smiles | O=C(c1cc(CCc2c-3cccc2)c3s1)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C20H15ClN2OS/c21-16-9-5-13(6-10-16)12-22-23-20(24)18-11-15-8-7-14-3-1-2-4-17(14)19(15)25-18/h1-6,9-12H,7-8H2,(H,23,24) |
| InChIK | DMVZMSOAKWAAIL-UHFFFAOYSA-N |
| TotalMolweight | 366.871 |
| Molweight | 366.871 |
| MonoisotopicMass | 366.05936 |
| CLogP | 6.0453 |
| CLogS | -7.126 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 272.13 |
| Relative PSA | 0.20714 |
| PolarSurfaceArea | 69.7 |
| Druglikeness | 4.9433 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - N-[(Z)-(4-chlorophenyl)methylideneamino]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide | 2 - N-[(Z)-(4-chlorophenyl)methylideneamino]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
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