ethyl 2-{[4-(2,4-dinitrophenoxy)phenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[4-(2,4-dinitrophenoxy)phenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-{[4-(2,4-dinitrophenoxy)phenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 3270-0451 |
| Compound Name: | ethyl 2-{[4-(2,4-dinitrophenoxy)phenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 586.58 |
| Molecular Formula: | C29 H22 N4 O8 S |
| Smiles: | CCOC(C1C(c2ccccc2)N2C(=NC=1C)SC(=C/c1ccc(cc1)Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5437 |
| logD: | 5.5437 |
| logSw: | -5.5112 |
| Hydrogen bond acceptors count: | 16 |
| Polar surface area: | 119.044 |
| InChI Key: | STYMIBAFAFNLLF-AREMUKBSSA-N |