ethyl 2-{[3-({[3-cyano-4-methyl-6-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)-4-methoxyphenyl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxy late
Chemical Structure Depiction of
ethyl 2-{[3-({[3-cyano-4-methyl-6-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)-4-methoxyphenyl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxy late
ethyl 2-{[3-({[3-cyano-4-methyl-6-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)-4-methoxyphenyl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxy late
Compound characteristics
| Compound ID: | Y500-8061 |
| Compound Name: | ethyl 2-{[3-({[3-cyano-4-methyl-6-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)-4-methoxyphenyl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxy late |
| Molecular Weight: | 694.75 |
| Molecular Formula: | C34 H29 F3 N4 O5 S2 |
| Smiles: | CCOC(C1C(c2ccc(cc2)OC)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: | 7.0179 |
| logD: | 7.0179 |
| logSw: | -5.7939 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 86.453 |
| InChI Key: | ZREZDRVSQVMIAQ-GDLZYMKVSA-N |