ethyl 5-[4-(acetyloxy)phenyl]-2-{[3-(4-methoxyphenyl)-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-(acetyloxy)phenyl]-2-{[3-(4-methoxyphenyl)-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-(acetyloxy)phenyl]-2-{[3-(4-methoxyphenyl)-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: | 2556-0116 |
| Compound Name: | ethyl 5-[4-(acetyloxy)phenyl]-2-{[3-(4-methoxyphenyl)-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: | 634.71 |
| Molecular Formula: | C35 H30 N4 O6 S |
| Smiles: | [H]C1(C(=C(C)N=C2N1C(/C(=C/c1cn(c3ccccc3)nc1c1ccc(cc1)OC)S2)=O)C(=O)OCC)c1ccc(cc1)OC(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.54 |
| logD: | 5.54 |
| logSw: | -5.4716 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 88.675 |
| InChI Key: | NVQUYMHVWUPHRT-JGCGQSQUSA-N |