ethyl 6-[(3-chloro-4-fluorobenzene-1-sulfonyl)methyl]-4-[4-(methylsulfanyl)phenyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-[(3-chloro-4-fluorobenzene-1-sulfonyl)methyl]-4-[4-(methylsulfanyl)phenyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-[(3-chloro-4-fluorobenzene-1-sulfonyl)methyl]-4-[4-(methylsulfanyl)phenyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | C653-0156 |
| Compound Name: | ethyl 6-[(3-chloro-4-fluorobenzene-1-sulfonyl)methyl]-4-[4-(methylsulfanyl)phenyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 498.98 |
| Molecular Formula: | C21 H20 Cl F N2 O5 S2 |
| Smiles: | CCOC(C1C(c2ccc(cc2)SC)NC(NC=1CS(c1ccc(c(c1)[Cl])F)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4782 |
| logD: | 3.0525 |
| logSw: | -3.8881 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.817 |
| InChI Key: | FSHWLDDIGOARKL-LJQANCHMSA-N |