N-[(3S,5S)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-{[4-(propan-2-yl)phenyl]methyl}pyrrolidin-3-yl]methanesulfonamide
Chemical Structure Depiction of
N-[(3S,5S)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-{[4-(propan-2-yl)phenyl]methyl}pyrrolidin-3-yl]methanesulfonamide
N-[(3S,5S)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-{[4-(propan-2-yl)phenyl]methyl}pyrrolidin-3-yl]methanesulfonamide
Compound characteristics
| Compound ID: | SB18-0917 |
| Compound Name: | N-[(3S,5S)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-{[4-(propan-2-yl)phenyl]methyl}pyrrolidin-3-yl]methanesulfonamide |
| Molecular Weight: | 439.58 |
| Molecular Formula: | C23 H29 N5 O2 S |
| Smiles: | CC(C)c1ccc(CN2C[C@H](C[C@H]2c2nc(c3ccccc3)n[nH]2)NS(C)(=O)=O)cc1 |
| Stereo: | ABSOLUTE |
| logP: | 4.0723 |
| logD: | 4.0661 |
| logSw: | -4.0724 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.366 |
| InChI Key: | GAMYSQKNKQNWPR-LEWJYISDSA-N |