ethyl 5-[4-(dimethylamino)phenyl]-2-({3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-[4-(dimethylamino)phenyl]-2-({3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 5-[4-(dimethylamino)phenyl]-2-({3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 2030-0048 |
| Compound Name: | ethyl 5-[4-(dimethylamino)phenyl]-2-({3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 642.73 |
| Molecular Formula: | C34 H34 N4 O7 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)N(C)C)N2C(=NC=1C)SC(=C/c1ccc(c(c1)OCC)OCc1ccc(cc1)[N+]([O-])=O)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.783 |
| logD: | 5.7687 |
| logSw: | -5.5185 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 96.458 |
| InChI Key: | LBZMHRWRZMDYLB-WJOKGBTCSA-N |