N-[5-({2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]octanamide
Chemical Structure Depiction of
N-[5-({2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]octanamide
N-[5-({2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]octanamide
Compound characteristics
| Compound ID: | V025-1316 |
| Compound Name: | N-[5-({2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]octanamide |
| Molecular Weight: | 445.52 |
| Molecular Formula: | C19 H22 F3 N3 O2 S2 |
| Smiles: | CCCCCCCC(Nc1nnc(SCC(c2cccc(c2)C(F)(F)F)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1885 |
| logD: | 6.1862 |
| logSw: | -5.3945 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.269 |
| InChI Key: | YVSZQXPIRGFJGJ-UHFFFAOYSA-N |