ethyl 4-(3,4-dichlorophenyl)-1-methyl-6-{[4-(methylsulfanyl)phenoxy]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(3,4-dichlorophenyl)-1-methyl-6-{[4-(methylsulfanyl)phenoxy]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(3,4-dichlorophenyl)-1-methyl-6-{[4-(methylsulfanyl)phenoxy]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V030-4903 |
| Compound Name: | ethyl 4-(3,4-dichlorophenyl)-1-methyl-6-{[4-(methylsulfanyl)phenoxy]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 481.4 |
| Molecular Formula: | C22 H22 Cl2 N2 O4 S |
| Smiles: | CCOC(C1C(c2ccc(c(c2)[Cl])[Cl])NC(N(C)C=1COc1ccc(cc1)SC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6213 |
| logD: | 5.6072 |
| logSw: | -6.0867 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.018 |
| InChI Key: | YFSWFHKGJUNKIM-FQEVSTJZSA-N |