N-{(1S)-2-methyl-1-[1-(propan-2-yl)-1H-benzimidazol-2-yl]propyl}-2-[4-(1H-pyrrol-1-yl)thian-4-yl]acetamide
Chemical Structure Depiction of
N-{(1S)-2-methyl-1-[1-(propan-2-yl)-1H-benzimidazol-2-yl]propyl}-2-[4-(1H-pyrrol-1-yl)thian-4-yl]acetamide
N-{(1S)-2-methyl-1-[1-(propan-2-yl)-1H-benzimidazol-2-yl]propyl}-2-[4-(1H-pyrrol-1-yl)thian-4-yl]acetamide
Compound characteristics
| Compound ID: | Y042-7633 |
| Compound Name: | N-{(1S)-2-methyl-1-[1-(propan-2-yl)-1H-benzimidazol-2-yl]propyl}-2-[4-(1H-pyrrol-1-yl)thian-4-yl]acetamide |
| Molecular Weight: | 438.63 |
| Molecular Formula: | C25 H34 N4 O S |
| Smiles: | CC(C)[C@@H](c1nc2ccccc2n1C(C)C)NC(CC1(CCSCC1)n1cccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.8764 |
| logD: | 4.8763 |
| logSw: | -4.4777 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.833 |
| InChI Key: | DMGWOKSVKWBOFE-QHCPKHFHSA-N |