ethyl 4-(4-chlorophenyl)-6-[(3,4-dimethylbenzene-1-sulfonyl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-chlorophenyl)-6-[(3,4-dimethylbenzene-1-sulfonyl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(4-chlorophenyl)-6-[(3,4-dimethylbenzene-1-sulfonyl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | C653-0116 |
| Compound Name: | ethyl 4-(4-chlorophenyl)-6-[(3,4-dimethylbenzene-1-sulfonyl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 462.95 |
| Molecular Formula: | C22 H23 Cl N2 O5 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)[Cl])NC(NC=1CS(c1ccc(C)c(C)c1)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8826 |
| logD: | 3.4569 |
| logSw: | -4.5644 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.817 |
| InChI Key: | XJNCSBKJUGHKCP-FQEVSTJZSA-N |