N-[(3S,5S)-1-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
Chemical Structure Depiction of
N-[(3S,5S)-1-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
N-[(3S,5S)-1-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
Compound characteristics
| Compound ID: | SB18-0948 |
| Compound Name: | N-[(3S,5S)-1-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide |
| Molecular Weight: | 415.52 |
| Molecular Formula: | C19 H25 N7 O2 S |
| Smiles: | Cc1cc(CN2C[C@H](C[C@H]2c2nc(c3ccccc3)n[nH]2)NS(C)(=O)=O)n(C)n1 |
| Stereo: | ABSOLUTE |
| logP: | 1.0142 |
| logD: | 1.0079 |
| logSw: | -2.2942 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.169 |
| InChI Key: | BQEGQHCAIYTNDR-DOTOQJQBSA-N |