N-[(3S,5S)-1-cyclobutyl-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
Chemical Structure Depiction of
N-[(3S,5S)-1-cyclobutyl-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
N-[(3S,5S)-1-cyclobutyl-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
Compound characteristics
| Compound ID: | SB18-1088 |
| Compound Name: | N-[(3S,5S)-1-cyclobutyl-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide |
| Molecular Weight: | 361.46 |
| Molecular Formula: | C17 H23 N5 O2 S |
| Smiles: | CS(N[C@H]1C[C@@H](c2nc(c3ccccc3)n[nH]2)N(C1)C1CCC1)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.0053 |
| logD: | 1.99 |
| logSw: | -2.4522 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.084 |
| InChI Key: | PNMUCMOLIHQSAN-DZGCQCFKSA-N |