methyl 4-(4-ethoxyphenyl)-6-[(4-methylbenzene-1-sulfonyl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 4-(4-ethoxyphenyl)-6-[(4-methylbenzene-1-sulfonyl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-(4-ethoxyphenyl)-6-[(4-methylbenzene-1-sulfonyl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | C653-0453 |
| Compound Name: | methyl 4-(4-ethoxyphenyl)-6-[(4-methylbenzene-1-sulfonyl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 444.51 |
| Molecular Formula: | C22 H24 N2 O6 S |
| Smiles: | CCOc1ccc(cc1)C1C(=C(CS(c2ccc(C)cc2)(=O)=O)NC(N1)=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6783 |
| logD: | 2.2525 |
| logSw: | -3.1371 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.361 |
| InChI Key: | LBZIYHOHPCIKBB-HXUWFJFHSA-N |