ethyl 6-[(3-chloro-4-fluorobenzene-1-sulfonyl)methyl]-4-(3-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-[(3-chloro-4-fluorobenzene-1-sulfonyl)methyl]-4-(3-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-[(3-chloro-4-fluorobenzene-1-sulfonyl)methyl]-4-(3-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | C653-0152 |
| Compound Name: | ethyl 6-[(3-chloro-4-fluorobenzene-1-sulfonyl)methyl]-4-(3-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 470.88 |
| Molecular Formula: | C20 H17 Cl F2 N2 O5 S |
| Smiles: | CCOC(C1C(c2cccc(c2)F)NC(NC=1CS(c1ccc(c(c1)[Cl])F)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9436 |
| logD: | 2.5179 |
| logSw: | -3.5216 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.817 |
| InChI Key: | ACMULBDYGLEDKC-GOSISDBHSA-N |