methyl 6-[(3-chloro-4-fluorobenzene-1-sulfonyl)methyl]-4-(4-hydroxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 6-[(3-chloro-4-fluorobenzene-1-sulfonyl)methyl]-4-(4-hydroxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 6-[(3-chloro-4-fluorobenzene-1-sulfonyl)methyl]-4-(4-hydroxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | C653-0517 |
| Compound Name: | methyl 6-[(3-chloro-4-fluorobenzene-1-sulfonyl)methyl]-4-(4-hydroxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 454.86 |
| Molecular Formula: | C19 H16 Cl F N2 O6 S |
| Smiles: | COC(C1C(c2ccc(cc2)O)NC(NC=1CS(c1ccc(c(c1)[Cl])F)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6986 |
| logD: | 1.2729 |
| logSw: | -2.6705 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 103.854 |
| InChI Key: | XUEVPDYXSBFXEH-QGZVFWFLSA-N |