ethyl 2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7-methyl-5-(4-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7-methyl-5-(4-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7-methyl-5-(4-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 1900-2948 |
| Compound Name: | ethyl 2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7-methyl-5-(4-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 595.12 |
| Molecular Formula: | C33 H27 Cl N4 O3 S |
| Smiles: | [H]C1(C(=C(C)N=C2N1C(/C(=C/c1cn(c3ccccc3)nc1c1ccc(cc1)[Cl])S2)=O)C(=O)OCC)c1ccc(C)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.0964 |
| logD: | 7.0964 |
| logSw: | -6.4149 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.38 |
| InChI Key: | QCJYXOUXXVAKEG-PMERELPUSA-N |