N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-[2-(1H-pyrrol-1-yl)-1,3-thiazol-4-yl]acetamide
Chemical Structure Depiction of
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-[2-(1H-pyrrol-1-yl)-1,3-thiazol-4-yl]acetamide
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-[2-(1H-pyrrol-1-yl)-1,3-thiazol-4-yl]acetamide
Compound characteristics
| Compound ID: | Y042-1731 |
| Compound Name: | N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-[2-(1H-pyrrol-1-yl)-1,3-thiazol-4-yl]acetamide |
| Molecular Weight: | 411.55 |
| Molecular Formula: | C20 H21 N5 O S2 |
| Smiles: | CSCC[C@@H](c1nc2ccccc2[nH]1)NC(Cc1csc(n1)n1cccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.8954 |
| logD: | 3.8941 |
| logSw: | -4.0521 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.661 |
| InChI Key: | QKCHBYHKLLRWEC-KRWDZBQOSA-N |