ethyl 1-ethyl-6-{[4-(methylsulfanyl)phenoxy]methyl}-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 1-ethyl-6-{[4-(methylsulfanyl)phenoxy]methyl}-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 1-ethyl-6-{[4-(methylsulfanyl)phenoxy]methyl}-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V030-4866 |
| Compound Name: | ethyl 1-ethyl-6-{[4-(methylsulfanyl)phenoxy]methyl}-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 471.53 |
| Molecular Formula: | C23 H25 N3 O6 S |
| Salt: | not_available |
| Smiles: | CCN1C(COc2ccc(cc2)SC)=C(C(c2ccc(cc2)[N+]([O-])=O)NC1=O)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5575 |
| logD: | 4.5329 |
| logSw: | -4.2582 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.358 |
| InChI Key: | AKVGSBQDSRNHCI-OAQYLSRUSA-N |