N-[(3S,5S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
Chemical Structure Depiction of
N-[(3S,5S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
N-[(3S,5S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
Compound characteristics
| Compound ID: | SB18-1122 |
| Compound Name: | N-[(3S,5S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide |
| Molecular Weight: | 430.48 |
| Molecular Formula: | C19 H22 N6 O4 S |
| Smiles: | Cc1c(C(N2C[C@H](C[C@H]2c2nc(c3ccccc3)n[nH]2)NS(C)(=O)=O)=O)c(C)on1 |
| Stereo: | ABSOLUTE |
| logP: | 1.36 |
| logD: | 1.3537 |
| logSw: | -2.2826 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.154 |
| InChI Key: | BUBUYRBPKQXAFM-LSDHHAIUSA-N |