1-[4-(2-bromo-4,5-dimethoxyphenyl)-6-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]ethan-1-one
Chemical Structure Depiction of
1-[4-(2-bromo-4,5-dimethoxyphenyl)-6-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]ethan-1-one
1-[4-(2-bromo-4,5-dimethoxyphenyl)-6-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | Y500-6153 |
| Compound Name: | 1-[4-(2-bromo-4,5-dimethoxyphenyl)-6-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]ethan-1-one |
| Molecular Weight: | 447.35 |
| Molecular Formula: | C20 H19 Br N2 O3 S |
| Smiles: | CC(C1C(c2cc(c(cc2[Br])OC)OC)NC(NC=1c1ccccc1)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2079 |
| logD: | 3.1433 |
| logSw: | -3.4694 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.991 |
| InChI Key: | BGVIGVDTTHOAER-IBGZPJMESA-N |