methyl 2-{[3-({[3-cyano-4-methyl-6-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)-4-methoxyphenyl]methylidene}-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine- 6-carboxylate
Chemical Structure Depiction of
methyl 2-{[3-({[3-cyano-4-methyl-6-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)-4-methoxyphenyl]methylidene}-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine- 6-carboxylate
methyl 2-{[3-({[3-cyano-4-methyl-6-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)-4-methoxyphenyl]methylidene}-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine- 6-carboxylate
Compound characteristics
| Compound ID: | Y508-9552 |
| Compound Name: | methyl 2-{[3-({[3-cyano-4-methyl-6-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)-4-methoxyphenyl]methylidene}-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine- 6-carboxylate |
| Molecular Weight: | 693.77 |
| Molecular Formula: | C34 H30 F3 N5 O4 S2 |
| Smiles: | CC1=C(C(c2ccc(cc2)N(C)C)N2C(=N1)SC(=C/c1ccc(c(CSc3c(C#N)c(C)cc(C(F)(F)F)n3)c1)OC)\C2=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.685 |
| logD: | 6.6707 |
| logSw: | -5.8085 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.135 |
| InChI Key: | CBUDZRZIGMEWPU-GDLZYMKVSA-N |