N-[rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-{[4-(propan-2-yl)phenyl]methyl}pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-{[4-(propan-2-yl)phenyl]methyl}pyrrolidin-3-yl]benzamide
N-[rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-{[4-(propan-2-yl)phenyl]methyl}pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | SB33-0266 |
| Compound Name: | N-[rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-{[4-(propan-2-yl)phenyl]methyl}pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 403.53 |
| Molecular Formula: | C24 H29 N5 O |
| Smiles: | CC(C)c1ccc(CN2C[C@H]([C@@H](C2)c2nc(C)n[nH]2)NC(c2ccccc2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.4116 |
| logD: | 2.0205 |
| logSw: | -3.5506 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.938 |
| InChI Key: | DQCIPHFTLPPOTM-VXKWHMMOSA-N |