ethyl 6-[(3-chloro-4-fluorobenzene-1-sulfonyl)methyl]-4-(4-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-[(3-chloro-4-fluorobenzene-1-sulfonyl)methyl]-4-(4-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-[(3-chloro-4-fluorobenzene-1-sulfonyl)methyl]-4-(4-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | C653-0158 |
| Compound Name: | ethyl 6-[(3-chloro-4-fluorobenzene-1-sulfonyl)methyl]-4-(4-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 496.94 |
| Molecular Formula: | C22 H22 Cl F N2 O6 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)OCC)NC(NC=1CS(c1ccc(c(c1)[Cl])F)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1279 |
| logD: | 2.7022 |
| logSw: | -3.62 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.94 |
| InChI Key: | IEZBJGCQXVPOFL-HXUWFJFHSA-N |