diethyl 1-{2-[3-(4-chlorophenyl)-5-(4-methoxyphenyl)-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-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
diethyl 1-{2-[3-(4-chlorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | Y501-5341 |
| Compound Name: | diethyl 1-{2-[3-(4-chlorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate |
| Molecular Weight: | 539.98 |
| Molecular Formula: | C26 H26 Cl N5 O6 |
| Smiles: | CCOC(c1c(C(=O)OCC)n(CC(N2C(CC(c3ccc(cc3)[Cl])=N2)c2ccc(cc2)OC)=O)nn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9463 |
| logD: | 3.9463 |
| logSw: | -4.7377 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 101.646 |
| InChI Key: | JTLIZJSOVKBDRU-OAQYLSRUSA-N |