N-[(3S,5S)-1-(pentan-3-yl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
Chemical Structure Depiction of
N-[(3S,5S)-1-(pentan-3-yl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
N-[(3S,5S)-1-(pentan-3-yl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
Compound characteristics
| Compound ID: | SB18-0919 |
| Compound Name: | N-[(3S,5S)-1-(pentan-3-yl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide |
| Molecular Weight: | 377.51 |
| Molecular Formula: | C18 H27 N5 O2 S |
| Smiles: | CCC(CC)N1C[C@H](C[C@H]1c1nc(c2ccccc2)n[nH]1)NS(C)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.0649 |
| logD: | 3.0586 |
| logSw: | -3.3329 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.693 |
| InChI Key: | FKXNDICSAZCUDQ-GOEBONIOSA-N |