ethyl 2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7-methyl-5-(3-nitrophenyl)-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-(3-nitrophenyl)-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-(3-nitrophenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 2388-1170 |
| Compound Name: | ethyl 2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7-methyl-5-(3-nitrophenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 626.09 |
| Molecular Formula: | C32 H24 Cl N5 O5 S |
| Smiles: | CCOC(C1C(c2cccc(c2)[N+]([O-])=O)N2C(=NC=1C)SC(=C/c1cn(c3ccccc3)nc1c1ccc(cc1)[Cl])\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5454 |
| logD: | 6.5454 |
| logSw: | -6.2584 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.761 |
| InChI Key: | MRRFUPGJFYRRNF-LJAQVGFWSA-N |