ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-{[(3-cyano-4,6-dimethylpyridin-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-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8016-2321 |
| Compound Name: | ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 466.51 |
| Molecular Formula: | C23 H22 N4 O5 S |
| Smiles: | CCOC(C1C(c2ccc3c(c2)OCO3)NC(NC=1CSc1c(C#N)c(C)cc(C)n1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3931 |
| logD: | 3.1638 |
| logSw: | -3.7743 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.506 |
| InChI Key: | LYLFHLRNUWVKBN-HXUWFJFHSA-N |