ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-[({4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-imidazol-2-yl}sulfanyl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-[({4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-imidazol-2-yl}sulfanyl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-[({4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-imidazol-2-yl}sulfanyl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8016-3188 |
| Compound Name: | ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-[({4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-imidazol-2-yl}sulfanyl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 490.6 |
| Molecular Formula: | C22 H26 N4 O5 S2 |
| Smiles: | CCOC(C1C(c2ccc3c(c2)OCO3)NC(NC=1CSc1nc(C)c(CCSC)[nH]1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8999 |
| logD: | 2.5047 |
| logSw: | -3.353 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.05 |
| InChI Key: | LPGVUZWUTISZGS-LJQANCHMSA-N |