methyl 4-(4-hydroxy-3-methoxyphenyl)-6-[(4-methoxybenzene-1-sulfonyl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 4-(4-hydroxy-3-methoxyphenyl)-6-[(4-methoxybenzene-1-sulfonyl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-(4-hydroxy-3-methoxyphenyl)-6-[(4-methoxybenzene-1-sulfonyl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | C653-0556 |
| Compound Name: | methyl 4-(4-hydroxy-3-methoxyphenyl)-6-[(4-methoxybenzene-1-sulfonyl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 462.48 |
| Molecular Formula: | C21 H22 N2 O8 S |
| Smiles: | COC(C1C(c2ccc(c(c2)OC)O)NC(NC=1CS(c1ccc(cc1)OC)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2127 |
| logD: | 0.787 |
| logSw: | -2.2157 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 117.959 |
| InChI Key: | RJWVLSHYTOREJP-LJQANCHMSA-N |