diethyl 1-{2-[3-(2,5-dimethylphenyl)-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-(2,5-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
diethyl 1-{2-[3-(2,5-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 6049-0401 |
| Compound Name: | diethyl 1-{2-[3-(2,5-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate |
| Molecular Weight: | 533.58 |
| Molecular Formula: | C28 H31 N5 O6 |
| Smiles: | CCOC(c1c(C(=O)OCC)n(CC(N2C(CC(c3cc(C)ccc3C)=N2)c2ccc(cc2)OC)=O)nn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1262 |
| logD: | 4.1262 |
| logSw: | -4.1922 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 101.646 |
| InChI Key: | VFMAXEOFVOYTEU-QHCPKHFHSA-N |