N-[(3S,5S)-1-(1-methylpiperidine-4-carbonyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
Chemical Structure Depiction of
N-[(3S,5S)-1-(1-methylpiperidine-4-carbonyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
N-[(3S,5S)-1-(1-methylpiperidine-4-carbonyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
Compound characteristics
| Compound ID: | SB18-0971 |
| Compound Name: | N-[(3S,5S)-1-(1-methylpiperidine-4-carbonyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide |
| Molecular Weight: | 432.54 |
| Molecular Formula: | C20 H28 N6 O3 S |
| Smiles: | CN1CCC(CC1)C(N1C[C@H](C[C@H]1c1nc(c2ccccc2)n[nH]1)NS(C)(=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.9553 |
| logD: | -2.7977 |
| logSw: | -2.27 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.785 |
| InChI Key: | DPXYAXZBMFOSQJ-DLBZAZTESA-N |