2,2-dimethyl-N-[5-({2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]propanamide
Chemical Structure Depiction of
2,2-dimethyl-N-[5-({2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]propanamide
2,2-dimethyl-N-[5-({2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]propanamide
Compound characteristics
| Compound ID: | V028-1933 |
| Compound Name: | 2,2-dimethyl-N-[5-({2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]propanamide |
| Molecular Weight: | 403.44 |
| Molecular Formula: | C16 H16 F3 N3 O2 S2 |
| Salt: | not_available |
| Smiles: | CC(C)(C)C(Nc1nnc(SCC(c2cccc(c2)C(F)(F)F)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6443 |
| logD: | 4.6396 |
| logSw: | -4.5361 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.482 |
| InChI Key: | XLEKUVCPZWFEED-UHFFFAOYSA-N |