N-[rel-(3R,4S)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]acetamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]acetamide
N-[rel-(3R,4S)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]acetamide
Compound characteristics
| Compound ID: | SB33-0439 |
| Compound Name: | N-[rel-(3R,4S)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]acetamide |
| Molecular Weight: | 429.44 |
| Molecular Formula: | C22 H22 F3 N5 O |
| Smiles: | CC(N[C@@H]1CN(Cc2ccc(cc2)C(F)(F)F)C[C@H]1c1nc(c2ccccc2)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.3046 |
| logD: | 1.7462 |
| logSw: | -3.6138 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.224 |
| InChI Key: | RTINBZUITVHOOQ-RTBURBONSA-N |