ethyl 2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5-(4-methoxyphenyl)-7-methyl-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}-5-(4-methoxyphenyl)-7-methyl-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}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 2388-1076 |
| Compound Name: | ethyl 2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 611.12 |
| Molecular Formula: | C33 H27 Cl N4 O4 S |
| Smiles: | [H]C1(C(=C(C)N=C2N1C(/C(=C/c1cn(c3ccccc3)nc1c1ccc(cc1)[Cl])S2)=O)C(=O)OCC)c1ccc(cc1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6554 |
| logD: | 6.6554 |
| logSw: | -6.3708 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.924 |
| InChI Key: | YKSUJXXLDNETOF-PMERELPUSA-N |