N-[rel-(3R,4S)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-{[1-(propan-2-yl)piperidin-4-yl]acetyl}pyrrolidin-3-yl]acetamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-{[1-(propan-2-yl)piperidin-4-yl]acetyl}pyrrolidin-3-yl]acetamide
N-[rel-(3R,4S)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-{[1-(propan-2-yl)piperidin-4-yl]acetyl}pyrrolidin-3-yl]acetamide
Compound characteristics
| Compound ID: | SB33-1362 |
| Compound Name: | N-[rel-(3R,4S)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-{[1-(propan-2-yl)piperidin-4-yl]acetyl}pyrrolidin-3-yl]acetamide |
| Molecular Weight: | 438.57 |
| Molecular Formula: | C24 H34 N6 O2 |
| Smiles: | CC(C)N1CCC(CC1)CC(N1C[C@H]([C@@H](C1)c1nc(c2ccccc2)n[nH]1)NC(C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1253 |
| logD: | -0.2969 |
| logSw: | -2.7819 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.669 |
| InChI Key: | NVCCTKLFDPJJII-NHCUHLMSSA-N |