N-[rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-{[2-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]oxane-4-carboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-{[2-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]oxane-4-carboxamide
N-[rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-{[2-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]oxane-4-carboxamide
Compound characteristics
| Compound ID: | SB33-1003 |
| Compound Name: | N-[rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-{[2-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]oxane-4-carboxamide |
| Molecular Weight: | 437.46 |
| Molecular Formula: | C21 H26 F3 N5 O2 |
| Smiles: | Cc1nc([C@@H]2CN(Cc3ccccc3C(F)(F)F)C[C@H]2NC(C2CCOCC2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9122 |
| logD: | 1.102 |
| logSw: | -2.9189 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.039 |
| InChI Key: | SZIKGIGMCFONLX-SJLPKXTDSA-N |