ethyl 5-[4-(difluoromethoxy)phenyl]-2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)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-(difluoromethoxy)phenyl]-2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 5-[4-(difluoromethoxy)phenyl]-2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | Y508-4676 |
| Compound Name: | ethyl 5-[4-(difluoromethoxy)phenyl]-2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 564.61 |
| Molecular Formula: | C29 H26 F2 N4 O4 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)OC(F)F)N2C(=NC=1C)SC(=C\c1c(C)nn(c3ccccc3)c1C)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7602 |
| logD: | 4.7602 |
| logSw: | -4.5138 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.77 |
| InChI Key: | SCRFGAAVCVIEDR-RUZDIDTESA-N |