methyl 4-(4-hydroxy-3-methoxyphenyl)-6-[(4-methylbenzene-1-sulfonyl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 4-(4-hydroxy-3-methoxyphenyl)-6-[(4-methylbenzene-1-sulfonyl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-(4-hydroxy-3-methoxyphenyl)-6-[(4-methylbenzene-1-sulfonyl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | C653-0549 |
| Compound Name: | methyl 4-(4-hydroxy-3-methoxyphenyl)-6-[(4-methylbenzene-1-sulfonyl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 446.48 |
| Molecular Formula: | C21 H22 N2 O7 S |
| Smiles: | Cc1ccc(cc1)S(CC1=C(C(c2ccc(c(c2)OC)O)NC(N1)=O)C(=O)OC)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6537 |
| logD: | 1.228 |
| logSw: | -2.3442 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 110.416 |
| InChI Key: | AYWVTOONSPCCTH-LJQANCHMSA-N |