N-(5-phenyl-1,3,4-thiadiazol-2-yl)-N~2~-[3-(trifluoromethyl)benzene-1-sulfonyl]isoleucinamide
Chemical Structure Depiction of
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-N~2~-[3-(trifluoromethyl)benzene-1-sulfonyl]isoleucinamide
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-N~2~-[3-(trifluoromethyl)benzene-1-sulfonyl]isoleucinamide
Compound characteristics
| Compound ID: | V017-5775 |
| Compound Name: | N-(5-phenyl-1,3,4-thiadiazol-2-yl)-N~2~-[3-(trifluoromethyl)benzene-1-sulfonyl]isoleucinamide |
| Molecular Weight: | 498.54 |
| Molecular Formula: | C21 H21 F3 N4 O3 S2 |
| Smiles: | CCC(C)C(C(Nc1nnc(c2ccccc2)s1)=O)NS(c1cccc(c1)C(F)(F)F)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2971 |
| logD: | 5.2935 |
| logSw: | -5.2889 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.198 |
| InChI Key: | FQJHENNTTNPNGY-UHFFFAOYSA-N |