ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-{[(4-methylphenyl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-{[(4-methylphenyl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-{[(4-methylphenyl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
Compound ID: | 8015-6262 |
Compound Name: | ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-{[(4-methylphenyl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
Molecular Weight: | 426.49 |
Molecular Formula: | C22 H22 N2 O5 S |
Smiles: | CCOC(C1C(c2ccc3c(c2)OCO3)NC(NC=1CSc1ccc(C)cc1)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.1645 |
logD: | 3.9009 |
logSw: | -4.1662 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 73.896 |
InChI Key: | JRAFBWGZIKTGRK-HXUWFJFHSA-N |