N-[rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-{[4-(trifluoromethoxy)phenyl]methyl}pyrrolidin-3-yl]cyclopentanecarboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-{[4-(trifluoromethoxy)phenyl]methyl}pyrrolidin-3-yl]cyclopentanecarboxamide
N-[rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-{[4-(trifluoromethoxy)phenyl]methyl}pyrrolidin-3-yl]cyclopentanecarboxamide
Compound characteristics
| Compound ID: | SB33-0158 |
| Compound Name: | N-[rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-{[4-(trifluoromethoxy)phenyl]methyl}pyrrolidin-3-yl]cyclopentanecarboxamide |
| Molecular Weight: | 437.46 |
| Molecular Formula: | C21 H26 F3 N5 O2 |
| Smiles: | Cc1nc([C@@H]2CN(Cc3ccc(cc3)OC(F)(F)F)C[C@H]2NC(C2CCCC2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.1801 |
| logD: | 1.6892 |
| logSw: | -3.49 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.433 |
| InChI Key: | FBXHWJDIUDVBEV-QZTJIDSGSA-N |