benzyl 4-(3,4-dimethoxyphenyl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
Chemical Structure Depiction of
benzyl 4-(3,4-dimethoxyphenyl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
benzyl 4-(3,4-dimethoxyphenyl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
Compound characteristics
| Compound ID: | D046-0062 |
| Compound Name: | benzyl 4-(3,4-dimethoxyphenyl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate |
| Molecular Weight: | 438.48 |
| Molecular Formula: | C24 H26 N2 O6 |
| Smiles: | CC1(Cc2c(C(C1C(=O)OCc1ccccc1)c1ccc(c(c1)OC)OC)c(n[nH]2)O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7113 |
| logD: | 2.1255 |
| logSw: | -3.0764 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.554 |
| InChI Key: | QDGMPZMXICCCNO-UHFFFAOYSA-N |