methyl 6-[(3-chloro-4-fluorobenzene-1-sulfonyl)methyl]-4-(4-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 6-[(3-chloro-4-fluorobenzene-1-sulfonyl)methyl]-4-(4-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 6-[(3-chloro-4-fluorobenzene-1-sulfonyl)methyl]-4-(4-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | C653-0469 |
| Compound Name: | methyl 6-[(3-chloro-4-fluorobenzene-1-sulfonyl)methyl]-4-(4-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 482.91 |
| Molecular Formula: | C21 H20 Cl F N2 O6 S |
| Smiles: | CCOc1ccc(cc1)C1C(=C(CS(c2ccc(c(c2)[Cl])F)(=O)=O)NC(N1)=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6874 |
| logD: | 2.2616 |
| logSw: | -3.5972 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.361 |
| InChI Key: | ZKVWFOPGPBBUKC-LJQANCHMSA-N |