methyl 4-(4-hydroxyphenyl)-6-[(4-methylbenzene-1-sulfonyl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 4-(4-hydroxyphenyl)-6-[(4-methylbenzene-1-sulfonyl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-(4-hydroxyphenyl)-6-[(4-methylbenzene-1-sulfonyl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | C653-0501 |
| Compound Name: | methyl 4-(4-hydroxyphenyl)-6-[(4-methylbenzene-1-sulfonyl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 416.45 |
| Molecular Formula: | C20 H20 N2 O6 S |
| Smiles: | Cc1ccc(cc1)S(CC1=C(C(c2ccc(cc2)O)NC(N1)=O)C(=O)OC)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6896 |
| logD: | 1.2638 |
| logSw: | -2.3583 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 103.854 |
| InChI Key: | AVPAYQHMWXSARU-GOSISDBHSA-N |