N-[(3S,5S)-1-(2-ethylbutyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
Chemical Structure Depiction of
N-[(3S,5S)-1-(2-ethylbutyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
N-[(3S,5S)-1-(2-ethylbutyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
Compound characteristics
| Compound ID: | SB18-1091 |
| Compound Name: | N-[(3S,5S)-1-(2-ethylbutyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide |
| Molecular Weight: | 391.53 |
| Molecular Formula: | C19 H29 N5 O2 S |
| Smiles: | CCC(CC)CN1C[C@H](C[C@H]1c1nc(c2ccccc2)n[nH]1)NS(C)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.6253 |
| logD: | 3.619 |
| logSw: | -3.844 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.637 |
| InChI Key: | ZGJMWYHJJIBSHB-DLBZAZTESA-N |