ethyl 2-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]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-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]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-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]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: | 4489-4302 |
| Compound Name: | ethyl 2-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]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: | 636.52 |
| Molecular Formula: | C30 H26 Br N3 O6 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)C(C)C)N2C(=NC=1C)SC(=C/c1ccc(c3ccc(cc3[Br])[N+]([O-])=O)o1)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.8879 |
| logD: | 7.8879 |
| logSw: | -5.7279 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 86.699 |
| InChI Key: | QMSAYNFWRFYFKP-MHZLTWQESA-N |