methyl 3,6-dihydroxy-6-methyl-4-(4-methylphenyl)-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate
Chemical Structure Depiction of
methyl 3,6-dihydroxy-6-methyl-4-(4-methylphenyl)-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate
methyl 3,6-dihydroxy-6-methyl-4-(4-methylphenyl)-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate
Compound characteristics
Compound ID: | 8013-4026 |
Compound Name: | methyl 3,6-dihydroxy-6-methyl-4-(4-methylphenyl)-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate |
Molecular Weight: | 316.35 |
Molecular Formula: | C17 H20 N2 O4 |
Smiles: | Cc1ccc(cc1)C1C(C(=O)OC)C(C)(Cc2c1c([nH]n2)O)O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 1.843 |
logD: | 1.2572 |
logSw: | -2.1014 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 77.609 |
InChI Key: | XQUCOWVOYICUFX-UHFFFAOYSA-N |