2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]acetamide
Formula:C18H15N4OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]acetamide is a drug-like molecule.
| MolName | 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]acetamide |
| MolecularFormula | C18H15N4OClS |
| Smiles | O=C(CSc1nc(cccc2)c2[nH]1)N/N=C\C(\Cl)=C\c1ccccc1 |
| InChI | InChI=1S/C18H15ClN4OS/c19-14(10-13-6-2-1-3-7-13)11-20-23-17(24)12-25-18-21-15-8-4-5-9-16(15)22-18/h1-11H,12H2,(H,21,22)(H,23,24) |
| InChIK | YYGYXKKSLGUNQK-UHFFFAOYSA-N |
| TotalMolweight | 370.863 |
| Molweight | 370.863 |
| MonoisotopicMass | 370.065508 |
| CLogP | 3.736 |
| CLogS | -5.226 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 281.3 |
| Relative PSA | 0.27892 |
| PolarSurfaceArea | 95.44 |
| Druglikeness | 5.2503 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]acetamide | 2 - 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]acetamide
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