2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide
Formula:C16H13N4OBrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide |
| MolecularFormula | C16H13N4OBrS |
| Smiles | O=C(CSc1nc(cccc2)c2[nH]1)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C16H13BrN4OS/c17-12-7-5-11(6-8-12)9-18-21-15(22)10-23-16-19-13-3-1-2-4-14(13)20-16/h1-9H,10H2,(H,19,20)(H,21,22) |
| InChIK | IVKWJBBMCDQEMS-UHFFFAOYSA-N |
| TotalMolweight | 389.276 |
| Molweight | 389.276 |
| MonoisotopicMass | 387.999342 |
| CLogP | 3.9813 |
| CLogS | -5.077 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 259.8 |
| Relative PSA | 0.302 |
| PolarSurfaceArea | 95.44 |
| Druglikeness | 3.1748 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| 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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