benzyl 3,6-dihydroxy-6-methyl-4-[4-(propan-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
Chemical Structure Depiction of
benzyl 3,6-dihydroxy-6-methyl-4-[4-(propan-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
benzyl 3,6-dihydroxy-6-methyl-4-[4-(propan-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
Compound characteristics
| Compound ID: | D046-0059 |
| Compound Name: | benzyl 3,6-dihydroxy-6-methyl-4-[4-(propan-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate |
| Molecular Weight: | 420.51 |
| Molecular Formula: | C25 H28 N2 O4 |
| Smiles: | CC(C)c1ccc(cc1)C1C(C(=O)OCc2ccccc2)C(C)(Cc2c1c(n[nH]2)O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3816 |
| logD: | 3.7958 |
| logSw: | -4.4501 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.293 |
| InChI Key: | DGOHFJNZQHXKBT-UHFFFAOYSA-N |