ethyl 2-{[3-({[3-cyano-4-methyl-6-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)-4-methoxyphenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[3-({[3-cyano-4-methyl-6-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)-4-methoxyphenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-{[3-({[3-cyano-4-methyl-6-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)-4-methoxyphenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | Y500-8060 |
| Compound Name: | ethyl 2-{[3-({[3-cyano-4-methyl-6-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)-4-methoxyphenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 664.73 |
| Molecular Formula: | C33 H27 F3 N4 O4 S2 |
| Smiles: | CCOC(C1C(c2ccccc2)N2C(=NC=1C)SC(=C/c1ccc(c(CSc3c(C#N)c(C)cc(C(F)(F)F)n3)c1)OC)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.0398 |
| logD: | 7.0398 |
| logSw: | -5.7543 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.91 |
| InChI Key: | YUNWWTQGCGSEMU-MUUNZHRXSA-N |