ethyl 6-[(3,4-dimethylbenzene-1-sulfonyl)methyl]-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-[(3,4-dimethylbenzene-1-sulfonyl)methyl]-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-[(3,4-dimethylbenzene-1-sulfonyl)methyl]-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | C653-0139 |
| Compound Name: | ethyl 6-[(3,4-dimethylbenzene-1-sulfonyl)methyl]-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 470.59 |
| Molecular Formula: | C25 H30 N2 O5 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)C(C)C)NC(NC=1CS(c1ccc(C)c(C)c1)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6261 |
| logD: | 4.2004 |
| logSw: | -4.3165 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.817 |
| InChI Key: | VSVTWBQOYYDDQT-HSZRJFAPSA-N |