ethyl 4-(4-hydroxy-3,5-dimethoxyphenyl)-6-[(4-methylbenzene-1-sulfonyl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-hydroxy-3,5-dimethoxyphenyl)-6-[(4-methylbenzene-1-sulfonyl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(4-hydroxy-3,5-dimethoxyphenyl)-6-[(4-methylbenzene-1-sulfonyl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | C653-0100 |
| Compound Name: | ethyl 4-(4-hydroxy-3,5-dimethoxyphenyl)-6-[(4-methylbenzene-1-sulfonyl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 490.53 |
| Molecular Formula: | C23 H26 N2 O8 S |
| Smiles: | CCOC(C1C(c2cc(c(c(c2)OC)O)OC)NC(NC=1CS(c1ccc(C)cc1)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8819 |
| logD: | 1.4561 |
| logSw: | -2.6409 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 116.557 |
| InChI Key: | ZVWGZWNGUIHXHZ-HXUWFJFHSA-N |