ethyl 4-(3,4-dihydroxyphenyl)-6-[(4-fluoro-3-methylbenzene-1-sulfonyl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(3,4-dihydroxyphenyl)-6-[(4-fluoro-3-methylbenzene-1-sulfonyl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(3,4-dihydroxyphenyl)-6-[(4-fluoro-3-methylbenzene-1-sulfonyl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | C653-0211 |
| Compound Name: | ethyl 4-(3,4-dihydroxyphenyl)-6-[(4-fluoro-3-methylbenzene-1-sulfonyl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 464.47 |
| Molecular Formula: | C21 H21 F N2 O7 S |
| Smiles: | CCOC(C1C(c2ccc(c(c2)O)O)NC(NC=1CS(c1ccc(c(C)c1)F)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8105 |
| logD: | 1.3848 |
| logSw: | -2.5239 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 118.913 |
| InChI Key: | NPTIRTKTUKFTHJ-LJQANCHMSA-N |