ethyl 6-[(3-chloro-4-fluorobenzene-1-sulfonyl)methyl]-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-[(3-chloro-4-fluorobenzene-1-sulfonyl)methyl]-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-[(3-chloro-4-fluorobenzene-1-sulfonyl)methyl]-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | C653-0157 |
| Compound Name: | ethyl 6-[(3-chloro-4-fluorobenzene-1-sulfonyl)methyl]-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 498.91 |
| Molecular Formula: | C21 H20 Cl F N2 O7 S |
| Smiles: | CCOC(C1C(c2ccc(c(c2)OC)O)NC(NC=1CS(c1ccc(c(c1)[Cl])F)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1033 |
| logD: | 1.6776 |
| logSw: | -3.1093 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 109.995 |
| InChI Key: | MLFMABVVBDRSHK-LJQANCHMSA-N |