ethyl 6-({[3-cyano-4-methyl-6-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)-1-ethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-({[3-cyano-4-methyl-6-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)-1-ethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-({[3-cyano-4-methyl-6-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)-1-ethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | Y503-3294 |
| Compound Name: | ethyl 6-({[3-cyano-4-methyl-6-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)-1-ethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 504.53 |
| Molecular Formula: | C24 H23 F3 N4 O3 S |
| Smiles: | CCN1C(CSc2c(C#N)c(C)cc(C(F)(F)F)n2)=C(C(c2ccccc2)NC1=O)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0822 |
| logD: | 5.0802 |
| logSw: | -4.9185 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.281 |
| InChI Key: | KNWQTNTZOBDPBL-HXUWFJFHSA-N |