ethyl 2-{[3-bromo-4-(2-methoxy-2-oxoethoxy)phenyl]methylidene}-7-methyl-3-oxo-5-[4-(propan-2-yl)phenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[3-bromo-4-(2-methoxy-2-oxoethoxy)phenyl]methylidene}-7-methyl-3-oxo-5-[4-(propan-2-yl)phenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-{[3-bromo-4-(2-methoxy-2-oxoethoxy)phenyl]methylidene}-7-methyl-3-oxo-5-[4-(propan-2-yl)phenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 8010-9697 |
| Compound Name: | ethyl 2-{[3-bromo-4-(2-methoxy-2-oxoethoxy)phenyl]methylidene}-7-methyl-3-oxo-5-[4-(propan-2-yl)phenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 613.53 |
| Molecular Formula: | C29 H29 Br N2 O6 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)C(C)C)N2C(=NC=1C)SC(=C/c1ccc(c(c1)[Br])OCC(=O)OC)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5722 |
| logD: | 5.5722 |
| logSw: | -5.4462 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 73.912 |
| InChI Key: | BMHMBFCBCANLCI-SANMLTNESA-N |