2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide
Formula:C16H12N4OCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide |
| MolecularFormula | C16H12N4OCl2S |
| Smiles | O=C(CSc1nc(cccc2)c2[nH]1)N/N=C\c1cccc(Cl)c1Cl |
| InChI | InChI=1S/C16H12Cl2N4OS/c17-11-5-3-4-10(15(11)18)8-19-22-14(23)9-24-16-20-12-6-1-2-7-13(12)21-16/h1-8H,9H2,(H,20,21)(H,22,23) |
| InChIK | WTOGQOFALURYAC-UHFFFAOYSA-N |
| TotalMolweight | 379.27 |
| Molweight | 379.27 |
| MonoisotopicMass | 378.010885 |
| CLogP | 4.4681 |
| CLogS | -5.715 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 272.01 |
| Relative PSA | 0.28845 |
| PolarSurfaceArea | 95.44 |
| Druglikeness | 4.9892 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide | 2 - 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide
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