2-(phenylsulfanyl)ethyl 4-(2-bromo-3,6-dimethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2-(phenylsulfanyl)ethyl 4-(2-bromo-3,6-dimethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-(phenylsulfanyl)ethyl 4-(2-bromo-3,6-dimethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 1630-0634 |
| Compound Name: | 2-(phenylsulfanyl)ethyl 4-(2-bromo-3,6-dimethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 507.4 |
| Molecular Formula: | C22 H23 Br N2 O5 S |
| Smiles: | CC1=C(C(c2c(ccc(c2[Br])OC)OC)NC(N1)=O)C(=O)OCCSc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5069 |
| logD: | 3.3983 |
| logSw: | -3.7174 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.729 |
| InChI Key: | YGQYSTRMNXMAEM-FQEVSTJZSA-N |