N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-{[2-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-{[2-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]benzamide
N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-{[2-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | SB18-1004 |
| Compound Name: | N-[(3S,5S)-5-(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]2C[C@@H](CN2Cc2ccccc2C(F)(F)F)NC(c2ccccc2)=O)[nH]n1 |
| Stereo: | ABSOLUTE |
| logP: | 3.3133 |
| logD: | 3.3123 |
| logSw: | -3.8101 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.474 |
| InChI Key: | ZAMWXXHEDAPZBF-MJGOQNOKSA-N |