methyl 4-(2H-1,3-benzodioxol-5-yl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate
Chemical Structure Depiction of
methyl 4-(2H-1,3-benzodioxol-5-yl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate
methyl 4-(2H-1,3-benzodioxol-5-yl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate
Compound characteristics
| Compound ID: | 8018-4232 |
| Compound Name: | methyl 4-(2H-1,3-benzodioxol-5-yl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate |
| Molecular Weight: | 346.34 |
| Molecular Formula: | C17 H18 N2 O6 |
| Smiles: | CC1(Cc2c(C(C1C(=O)OC)c1ccc3c(c1)OCO3)c([nH]n2)O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.4343 |
| logD: | 1.2264 |
| logSw: | -1.9309 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.725 |
| InChI Key: | GUCHQXCXUUAWTR-UHFFFAOYSA-N |