N-{[1-(propan-2-yl)-1H-benzimidazol-2-yl]methyl}-2-[4-(1H-pyrrol-1-yl)thian-4-yl]acetamide
Chemical Structure Depiction of
N-{[1-(propan-2-yl)-1H-benzimidazol-2-yl]methyl}-2-[4-(1H-pyrrol-1-yl)thian-4-yl]acetamide
N-{[1-(propan-2-yl)-1H-benzimidazol-2-yl]methyl}-2-[4-(1H-pyrrol-1-yl)thian-4-yl]acetamide
Compound characteristics
| Compound ID: | Y042-6716 |
| Compound Name: | N-{[1-(propan-2-yl)-1H-benzimidazol-2-yl]methyl}-2-[4-(1H-pyrrol-1-yl)thian-4-yl]acetamide |
| Molecular Weight: | 396.55 |
| Molecular Formula: | C22 H28 N4 O S |
| Smiles: | CC(C)n1c2ccccc2nc1CNC(CC1(CCSCC1)n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8278 |
| logD: | 3.8276 |
| logSw: | -3.9634 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.457 |
| InChI Key: | FQEDYMMCGYRBLS-UHFFFAOYSA-N |