ethyl 6-({[3-cyano-4-methyl-6-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)-4-(1-ethyl-1H-pyrazol-4-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-({[3-cyano-4-methyl-6-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)-4-(1-ethyl-1H-pyrazol-4-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-({[3-cyano-4-methyl-6-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)-4-(1-ethyl-1H-pyrazol-4-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | Y501-3405 |
| Compound Name: | ethyl 6-({[3-cyano-4-methyl-6-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)-4-(1-ethyl-1H-pyrazol-4-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 494.49 |
| Molecular Formula: | C21 H21 F3 N6 O3 S |
| Smiles: | CCn1cc(cn1)C1C(=C(CSc2c(C#N)c(C)cc(C(F)(F)F)n2)NC(N1)=O)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8691 |
| logD: | 2.6707 |
| logSw: | -3.0953 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.086 |
| InChI Key: | PZLBVDLZWGFOCQ-QGZVFWFLSA-N |