N-[(3S,5S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
Chemical Structure Depiction of
N-[(3S,5S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
N-[(3S,5S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
Compound characteristics
| Compound ID: | SB18-1087 |
| Compound Name: | N-[(3S,5S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide |
| Molecular Weight: | 446.55 |
| Molecular Formula: | C19 H22 N6 O3 S2 |
| Smiles: | Cc1c(C(N2C[C@H](C[C@H]2c2nc(c3ccccc3)n[nH]2)NS(C)(=O)=O)=O)sc(C)n1 |
| Stereo: | ABSOLUTE |
| logP: | 2.2354 |
| logD: | 2.2291 |
| logSw: | -2.628 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.505 |
| InChI Key: | AJMAUPHSULVSNW-LSDHHAIUSA-N |