methyl 6-[(3,4-dimethoxybenzene-1-sulfonyl)methyl]-4-(4-hydroxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 6-[(3,4-dimethoxybenzene-1-sulfonyl)methyl]-4-(4-hydroxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 6-[(3,4-dimethoxybenzene-1-sulfonyl)methyl]-4-(4-hydroxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | C653-0515 |
| Compound Name: | methyl 6-[(3,4-dimethoxybenzene-1-sulfonyl)methyl]-4-(4-hydroxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 462.48 |
| Molecular Formula: | C21 H22 N2 O8 S |
| Smiles: | COC(C1C(c2ccc(cc2)O)NC(NC=1CS(c1ccc(c(c1)OC)OC)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8089 |
| logD: | 0.3832 |
| logSw: | -2.1356 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 119.115 |
| InChI Key: | ILJJSQJZAZIKRB-LJQANCHMSA-N |