N-[(3S,5S)-1-(1-methyl-1H-pyrrole-2-carbonyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
Chemical Structure Depiction of
N-[(3S,5S)-1-(1-methyl-1H-pyrrole-2-carbonyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
N-[(3S,5S)-1-(1-methyl-1H-pyrrole-2-carbonyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
Compound characteristics
| Compound ID: | SB18-0974 |
| Compound Name: | N-[(3S,5S)-1-(1-methyl-1H-pyrrole-2-carbonyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide |
| Molecular Weight: | 414.48 |
| Molecular Formula: | C19 H22 N6 O3 S |
| Smiles: | Cn1cccc1C(N1C[C@H](C[C@H]1c1nc(c2ccccc2)n[nH]1)NS(C)(=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.2691 |
| logD: | 2.2628 |
| logSw: | -2.6779 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.533 |
| InChI Key: | KTZKNUBHKOCFAF-GOEBONIOSA-N |