N-{(3S,5S)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}methanesulfonamide
Chemical Structure Depiction of
N-{(3S,5S)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}methanesulfonamide
N-{(3S,5S)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}methanesulfonamide
Compound characteristics
| Compound ID: | SB18-0890 |
| Compound Name: | N-{(3S,5S)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}methanesulfonamide |
| Molecular Weight: | 398.49 |
| Molecular Formula: | C19 H22 N6 O2 S |
| Smiles: | CS(N[C@H]1C[C@@H](c2nc(c3ccccc3)n[nH]2)N(Cc2cccnc2)C1)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.4209 |
| logD: | 1.4147 |
| logSw: | -1.8411 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.884 |
| InChI Key: | NDXJCVBQMVJPTQ-DLBZAZTESA-N |