ethyl 2-({5-[4-(trifluoromethyl)benzamido]-1,3,4-thiadiazol-2-yl}sulfanyl)propanoate
Chemical Structure Depiction of
ethyl 2-({5-[4-(trifluoromethyl)benzamido]-1,3,4-thiadiazol-2-yl}sulfanyl)propanoate
ethyl 2-({5-[4-(trifluoromethyl)benzamido]-1,3,4-thiadiazol-2-yl}sulfanyl)propanoate
Compound characteristics
| Compound ID: | V013-0957 |
| Compound Name: | ethyl 2-({5-[4-(trifluoromethyl)benzamido]-1,3,4-thiadiazol-2-yl}sulfanyl)propanoate |
| Molecular Weight: | 405.42 |
| Molecular Formula: | C15 H14 F3 N3 O3 S2 |
| Smiles: | CCOC(C(C)Sc1nnc(NC(c2ccc(cc2)C(F)(F)F)=O)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6437 |
| logD: | 4.5875 |
| logSw: | -4.2535 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.989 |
| InChI Key: | YJXCLYUIAWKAIQ-QMMMGPOBSA-N |