diethyl 1-{2-[3-(4-chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Chemical Structure Depiction of
diethyl 1-{2-[3-(4-chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
diethyl 1-{2-[3-(4-chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | Y501-5340 |
| Compound Name: | diethyl 1-{2-[3-(4-chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate |
| Molecular Weight: | 509.95 |
| Molecular Formula: | C25 H24 Cl N5 O5 |
| Smiles: | CCOC(c1c(C(=O)OCC)n(CC(N2C(CC(c3ccc(cc3)[Cl])=N2)c2ccccc2)=O)nn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9682 |
| logD: | 3.9682 |
| logSw: | -4.5516 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 94.102 |
| InChI Key: | LJJBDEJUJHJDNB-HXUWFJFHSA-N |