ethyl 2-{[4-(benzyloxy)-3-bromo-5-ethoxyphenyl]methylidene}-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[4-(benzyloxy)-3-bromo-5-ethoxyphenyl]methylidene}-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-{[4-(benzyloxy)-3-bromo-5-ethoxyphenyl]methylidene}-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 2030-0061 |
| Compound Name: | ethyl 2-{[4-(benzyloxy)-3-bromo-5-ethoxyphenyl]methylidene}-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 676.63 |
| Molecular Formula: | C34 H34 Br N3 O5 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)N(C)C)N2C(=NC=1C)SC(=C/c1cc(c(c(c1)[Br])OCc1ccccc1)OCC)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9421 |
| logD: | 6.9277 |
| logSw: | -5.6713 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.163 |
| InChI Key: | HBPYUPLAFZKIIS-PMERELPUSA-N |