ethyl 6-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-4-[4-methoxy-3-(methoxymethyl)phenyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-4-[4-methoxy-3-(methoxymethyl)phenyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-4-[4-methoxy-3-(methoxymethyl)phenyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | Y503-4073 |
| Compound Name: | ethyl 6-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-4-[4-methoxy-3-(methoxymethyl)phenyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 496.58 |
| Molecular Formula: | C25 H28 N4 O5 S |
| Smiles: | CCOC(C1C(c2ccc(c(COC)c2)OC)NC(NC=1CSc1c(C#N)c(C)cc(C)n1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2285 |
| logD: | 2.9992 |
| logSw: | -3.3599 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.445 |
| InChI Key: | DYTAHPMGXBLAQE-JOCHJYFZSA-N |