methyl 2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
methyl 2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 1900-2919 |
| Compound Name: | methyl 2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 567.07 |
| Molecular Formula: | C31 H23 Cl N4 O3 S |
| Smiles: | [H]C1(C(=C(C)N=C2N1C(/C(=C/c1cn(c3ccccc3)nc1c1ccc(cc1)[Cl])S2)=O)C(=O)OC)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2368 |
| logD: | 6.2368 |
| logSw: | -6.3033 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.8 |
| InChI Key: | ULURVBLECAEXEY-NDEPHWFRSA-N |