N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y042-6772 |
| Compound Name: | N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 451.55 |
| Molecular Formula: | C23 H25 N5 O3 S |
| Smiles: | COc1ccc(cc1OC)c1cc(C(N[C@@H](CCSC)c2nc3ccccc3[nH]2)=O)[nH]n1 |
| Stereo: | ABSOLUTE |
| logP: | 3.5358 |
| logD: | 3.5351 |
| logSw: | -3.8977 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.324 |
| InChI Key: | BFBWYIUIERBFAB-KRWDZBQOSA-N |