N-(5-phenyl-1,3,4-thiadiazol-2-yl)-N~2~-{[4-(trifluoromethyl)phenyl]carbamoyl}isoleucinamide
Chemical Structure Depiction of
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-N~2~-{[4-(trifluoromethyl)phenyl]carbamoyl}isoleucinamide
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-N~2~-{[4-(trifluoromethyl)phenyl]carbamoyl}isoleucinamide
Compound characteristics
| Compound ID: | V017-2863 |
| Compound Name: | N-(5-phenyl-1,3,4-thiadiazol-2-yl)-N~2~-{[4-(trifluoromethyl)phenyl]carbamoyl}isoleucinamide |
| Molecular Weight: | 477.51 |
| Molecular Formula: | C22 H22 F3 N5 O2 S |
| Smiles: | CCC(C)C(C(Nc1nnc(c2ccccc2)s1)=O)NC(Nc1ccc(cc1)C(F)(F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7401 |
| logD: | 5.7398 |
| logSw: | -5.5761 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.852 |
| InChI Key: | UESLESMJCVFFTE-UHFFFAOYSA-N |