ethyl 2-({5-[4-(trifluoromethyl)benzamido]-1,3,4-thiadiazol-2-yl}sulfanyl)pentanoate
Chemical Structure Depiction of
ethyl 2-({5-[4-(trifluoromethyl)benzamido]-1,3,4-thiadiazol-2-yl}sulfanyl)pentanoate
ethyl 2-({5-[4-(trifluoromethyl)benzamido]-1,3,4-thiadiazol-2-yl}sulfanyl)pentanoate
Compound characteristics
Compound ID: | V012-9306 |
Compound Name: | ethyl 2-({5-[4-(trifluoromethyl)benzamido]-1,3,4-thiadiazol-2-yl}sulfanyl)pentanoate |
Molecular Weight: | 433.47 |
Molecular Formula: | C17 H18 F3 N3 O3 S2 |
Salt: | not_available |
Smiles: | CCCC(C(=O)OCC)Sc1nnc(NC(c2ccc(cc2)C(F)(F)F)=O)s1 |
Stereo: | RACEMIC MIXTURE |
logP: | 5.6032 |
logD: | 5.547 |
logSw: | -5.4559 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 66.989 |
InChI Key: | YHHIAPPRGGARSW-LBPRGKRZSA-N |