ethyl 6-[(4-chlorobenzene-1-sulfonyl)methyl]-4-(4-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-[(4-chlorobenzene-1-sulfonyl)methyl]-4-(4-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-[(4-chlorobenzene-1-sulfonyl)methyl]-4-(4-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | C653-0054 |
| Compound Name: | ethyl 6-[(4-chlorobenzene-1-sulfonyl)methyl]-4-(4-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 452.89 |
| Molecular Formula: | C20 H18 Cl F N2 O5 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)F)NC(NC=1CS(c1ccc(cc1)[Cl])(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9503 |
| logD: | 2.5245 |
| logSw: | -3.7986 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.817 |
| InChI Key: | KCJLIVLLTJEPPK-GOSISDBHSA-N |