ethyl 6-[(4-chlorobenzene-1-sulfonyl)methyl]-4-[4-(methylsulfanyl)phenyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-[(4-chlorobenzene-1-sulfonyl)methyl]-4-[4-(methylsulfanyl)phenyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-[(4-chlorobenzene-1-sulfonyl)methyl]-4-[4-(methylsulfanyl)phenyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | C653-0059 |
| Compound Name: | ethyl 6-[(4-chlorobenzene-1-sulfonyl)methyl]-4-[4-(methylsulfanyl)phenyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 480.99 |
| Molecular Formula: | C21 H21 Cl N2 O5 S2 |
| Smiles: | CCOC(C1C(c2ccc(cc2)SC)NC(NC=1CS(c1ccc(cc1)[Cl])(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6405 |
| logD: | 3.2148 |
| logSw: | -4.2605 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.817 |
| InChI Key: | RTNJHFFACZMDCW-LJQANCHMSA-N |