methyl 6-[(benzenesulfonyl)methyl]-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 6-[(benzenesulfonyl)methyl]-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 6-[(benzenesulfonyl)methyl]-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | C653-0404 |
| Compound Name: | methyl 6-[(benzenesulfonyl)methyl]-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 400.45 |
| Molecular Formula: | C20 H20 N2 O5 S |
| Smiles: | Cc1ccc(cc1)C1C(=C(CS(c2ccccc2)(=O)=O)NC(N1)=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1243 |
| logD: | 1.6985 |
| logSw: | -2.6897 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.237 |
| InChI Key: | LOIHQYDDTIRGCD-GOSISDBHSA-N |