methyl 3,6-dihydroxy-4-(4-methoxyphenyl)-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
Chemical Structure Depiction of
methyl 3,6-dihydroxy-4-(4-methoxyphenyl)-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
methyl 3,6-dihydroxy-4-(4-methoxyphenyl)-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
Compound characteristics
| Compound ID: | D046-0003 |
| Compound Name: | methyl 3,6-dihydroxy-4-(4-methoxyphenyl)-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate |
| Molecular Weight: | 332.35 |
| Molecular Formula: | C17 H20 N2 O5 |
| Smiles: | CC1(Cc2c(C(C1C(=O)OC)c1ccc(cc1)OC)c(n[nH]2)O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.402 |
| logD: | 0.8162 |
| logSw: | -1.8355 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.153 |
| InChI Key: | RGSDRBMHTDALNV-UHFFFAOYSA-N |