methyl 3,6-dihydroxy-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
Chemical Structure Depiction of
methyl 3,6-dihydroxy-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
methyl 3,6-dihydroxy-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
Compound characteristics
| Compound ID: | D046-0018 |
| Compound Name: | methyl 3,6-dihydroxy-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate |
| Molecular Weight: | 348.35 |
| Molecular Formula: | C17 H20 N2 O6 |
| Smiles: | CC1(Cc2c(C(C1C(=O)OC)c1ccc(c(c1)OC)O)c(n[nH]2)O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.6707 |
| logD: | 0.0849 |
| logSw: | -1.7999 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 101.787 |
| InChI Key: | VUGOLLUZWMJXDN-UHFFFAOYSA-N |