N-[rel-(3R,4S)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-(propan-2-yl)pyrrolidin-3-yl]acetamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-(propan-2-yl)pyrrolidin-3-yl]acetamide
N-[rel-(3R,4S)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-(propan-2-yl)pyrrolidin-3-yl]acetamide
Compound characteristics
| Compound ID: | SB33-1292 |
| Compound Name: | N-[rel-(3R,4S)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-(propan-2-yl)pyrrolidin-3-yl]acetamide |
| Molecular Weight: | 313.4 |
| Molecular Formula: | C17 H23 N5 O |
| Smiles: | CC(C)N1C[C@H]([C@@H](C1)c1nc(c2ccccc2)n[nH]1)NC(C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6825 |
| logD: | -0.8282 |
| logSw: | -2.3561 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.548 |
| InChI Key: | QHDQMNLMHZFAQF-GJZGRUSLSA-N |