ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-({[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}methyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-({[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}methyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-({[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}methyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8016-1300 |
| Compound Name: | ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-({[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}methyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 496.54 |
| Molecular Formula: | C24 H24 N4 O6 S |
| Smiles: | CCOC(C1C(c2ccc3c(c2)OCO3)NC(NC=1CSc1c(C#N)c(COC)cc(C)n1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9611 |
| logD: | 2.7318 |
| logSw: | -3.305 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.93 |
| InChI Key: | RWEOASLECCXKKZ-OAQYLSRUSA-N |