2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-furan-2-ylmethylideneamino]acetamide
Formula:C21H17N4O2ClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-furan-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-furan-2-ylmethylideneamino]acetamide |
| MolecularFormula | C21H17N4O2ClS |
| Smiles | O=C(CSc1nc(cccc2)c2n1Cc(cc1)ccc1Cl)N/N=C\c1ccco1 |
| InChI | InChI=1S/C21H17ClN4O2S/c22-16-9-7-15(8-10-16)13-26-19-6-2-1-5-18(19)24-21(26)29-14-20(27)25-23-12-17-4-3-11-28-17/h1-12H,13-14H2,(H,25,27) |
| InChIK | YHJWNQTXPUGIAB-UHFFFAOYSA-N |
| TotalMolweight | 424.911 |
| Molweight | 424.911 |
| MonoisotopicMass | 424.076073 |
| CLogP | 4.5411 |
| CLogS | -5.114 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 319.43 |
| Relative PSA | 0.26751 |
| PolarSurfaceArea | 97.72 |
| Druglikeness | 6.1149 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-furan-2-ylmethylideneamino]acetamide | 2 - 2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-furan-2-ylmethylideneamino]acetamide
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