N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxamide
Chemical Structure Depiction of
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxamide
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxamide
Compound characteristics
| Compound ID: | Y042-6734 |
| Compound Name: | N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxamide |
| Molecular Weight: | 411.55 |
| Molecular Formula: | C20 H21 N5 O S2 |
| Smiles: | Cc1c(C(N[C@@H](CCSC)c2nc3ccccc3[nH]2)=O)sc(n1)n1cccc1 |
| Stereo: | ABSOLUTE |
| logP: | 4.0589 |
| logD: | 4.0565 |
| logSw: | -4.1546 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.956 |
| InChI Key: | IOFLMCSYVQLTSP-INIZCTEOSA-N |