N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-methyl-1,3-benzothiazole-6-carboxamide
Chemical Structure Depiction of
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-methyl-1,3-benzothiazole-6-carboxamide
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-methyl-1,3-benzothiazole-6-carboxamide
Compound characteristics
| Compound ID: | Y042-6764 |
| Compound Name: | N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-methyl-1,3-benzothiazole-6-carboxamide |
| Molecular Weight: | 396.53 |
| Molecular Formula: | C20 H20 N4 O S2 |
| Smiles: | Cc1nc2ccc(cc2s1)C(N[C@@H](CCSC)c1nc2ccccc2[nH]1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.819 |
| logD: | 3.8188 |
| logSw: | -4.0481 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.1 |
| InChI Key: | REDPMVREHAMLJW-KRWDZBQOSA-N |