diethyl 1-{2-[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Chemical Structure Depiction of
diethyl 1-{2-[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
diethyl 1-{2-[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 6049-0427 |
| Compound Name: | diethyl 1-{2-[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate |
| Molecular Weight: | 541.61 |
| Molecular Formula: | C30 H31 N5 O5 |
| Smiles: | CCOC(c1c(C(=O)OCC)n(CC(N2C(C3CCC/C(=C\c4ccccc4)C3=N2)c2ccccc2)=O)nn1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8133 |
| logD: | 4.8133 |
| logSw: | -4.4959 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 92.537 |
| InChI Key: | RWMRFCIGNRUENW-UHFFFAOYSA-N |