N-(3-chloro-4-fluorophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
Formula:C16H13N3O2ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(3-chloro-4-fluorophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide is a drug-like molecule.
| MolName | N-(3-chloro-4-fluorophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide |
| MolecularFormula | C16H13N3O2ClFS |
| Smiles | COc(cc1)cc([nH]2)c1nc2SCC(Nc(cc1)cc(Cl)c1F)=O |
| InChI | InChI=1S/C16H13ClFN3O2S/c1-23-10-3-5-13-14(7-10)21-16(20-13)24-8-15(22)19-9-2-4-12(18)11(17)6-9/h2-7H,8H2,1H3,(H,19,22)(H,20,21) |
| InChIK | FTGWKXIDAPJEPO-UHFFFAOYSA-N |
| TotalMolweight | 365.815 |
| Molweight | 365.815 |
| MonoisotopicMass | 365.040102 |
| CLogP | 3.4984 |
| CLogS | -4.718 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 260.44 |
| Relative PSA | 0.29546 |
| PolarSurfaceArea | 92.31 |
| Druglikeness | 0.35036 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| 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 | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-(3-chloro-4-fluorophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide | 2 - N-(3-chloro-4-fluorophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
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