N-[rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-{[2-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]benzamide
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]benzamide
N-[rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-{[2-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | SB33-1213 |
| Compound Name: | N-[rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-{[2-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 429.44 |
| Molecular Formula: | C22 H22 F3 N5 O |
| Smiles: | Cc1nc([C@@H]2CN(Cc3ccccc3C(F)(F)F)C[C@H]2NC(c2ccccc2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0086 |
| logD: | 2.783 |
| logSw: | -3.5646 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.938 |
| InChI Key: | BRXGPQNPXHGPGO-IEBWSBKVSA-N |