N-{[4-(methylsulfanyl)phenyl]methyl}-2-[2-(4-propanamidophenyl)ethyl]-1H-benzimidazole-5-carboxamide
Chemical Structure Depiction of
N-{[4-(methylsulfanyl)phenyl]methyl}-2-[2-(4-propanamidophenyl)ethyl]-1H-benzimidazole-5-carboxamide
N-{[4-(methylsulfanyl)phenyl]methyl}-2-[2-(4-propanamidophenyl)ethyl]-1H-benzimidazole-5-carboxamide
Compound characteristics
| Compound ID: | F972-0154 |
| Compound Name: | N-{[4-(methylsulfanyl)phenyl]methyl}-2-[2-(4-propanamidophenyl)ethyl]-1H-benzimidazole-5-carboxamide |
| Molecular Weight: | 472.61 |
| Molecular Formula: | C27 H28 N4 O2 S |
| Smiles: | CCC(Nc1ccc(CCc2nc3cc(ccc3[nH]2)C(NCc2ccc(cc2)SC)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0552 |
| logD: | 5.0506 |
| logSw: | -4.7098 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.811 |
| InChI Key: | QKIFYJNMZBDYOJ-UHFFFAOYSA-N |