N~2~-{[3,5-bis(trifluoromethyl)phenyl]carbamoyl}-N-(5-phenyl-1,3,4-thiadiazol-2-yl)isoleucinamide
Chemical Structure Depiction of
N~2~-{[3,5-bis(trifluoromethyl)phenyl]carbamoyl}-N-(5-phenyl-1,3,4-thiadiazol-2-yl)isoleucinamide
N~2~-{[3,5-bis(trifluoromethyl)phenyl]carbamoyl}-N-(5-phenyl-1,3,4-thiadiazol-2-yl)isoleucinamide
Compound characteristics
| Compound ID: | V017-2873 |
| Compound Name: | N~2~-{[3,5-bis(trifluoromethyl)phenyl]carbamoyl}-N-(5-phenyl-1,3,4-thiadiazol-2-yl)isoleucinamide |
| Molecular Weight: | 545.51 |
| Molecular Formula: | C23 H21 F6 N5 O2 S |
| Salt: | not_available |
| Smiles: | CCC(C)C(C(Nc1nnc(c2ccccc2)s1)=O)NC(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.9861 |
| logD: | 6.9824 |
| logSw: | -5.6397 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.852 |
| InChI Key: | JZQMMFKNZCAEOF-UHFFFAOYSA-N |