ethyl 3-(4-methylphenyl)-2-[3-(trifluoromethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]prop-2-enoate
Chemical Structure Depiction of
ethyl 3-(4-methylphenyl)-2-[3-(trifluoromethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]prop-2-enoate
ethyl 3-(4-methylphenyl)-2-[3-(trifluoromethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]prop-2-enoate
Compound characteristics
| Compound ID: | Y502-4172 |
| Compound Name: | ethyl 3-(4-methylphenyl)-2-[3-(trifluoromethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]prop-2-enoate |
| Molecular Weight: | 382.36 |
| Molecular Formula: | C16 H13 F3 N4 O2 S |
| Smiles: | CCOC(/C(=C\c1ccc(C)cc1)c1nn2c(C(F)(F)F)nnc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8484 |
| logD: | 3.8484 |
| logSw: | -3.876 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.747 |
| InChI Key: | YFZAQXZHSGLMPP-UHFFFAOYSA-N |