ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-{[(2,5-dichlorophenyl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-{[(2,5-dichlorophenyl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-{[(2,5-dichlorophenyl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8015-8269 |
| Compound Name: | ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-{[(2,5-dichlorophenyl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 481.35 |
| Molecular Formula: | C21 H18 Cl2 N2 O5 S |
| Smiles: | CCOC(C1C(c2ccc3c(c2)OCO3)NC(NC=1CSc1cc(ccc1[Cl])[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5062 |
| logD: | 4.2426 |
| logSw: | -4.7301 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.896 |
| InChI Key: | JFDMVUOWSRDYLR-LJQANCHMSA-N |