benzyl 4-[4-(diethylamino)phenyl]-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
Chemical Structure Depiction of
benzyl 4-[4-(diethylamino)phenyl]-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
benzyl 4-[4-(diethylamino)phenyl]-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
Compound characteristics
| Compound ID: | D046-0058 |
| Compound Name: | benzyl 4-[4-(diethylamino)phenyl]-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C26 H31 N3 O4 |
| Smiles: | CCN(CC)c1ccc(cc1)C1C(C(=O)OCc2ccccc2)C(C)(Cc2c1c(n[nH]2)O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8539 |
| logD: | 3.2681 |
| logSw: | -3.945 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.029 |
| InChI Key: | QCRWDEYAJVFLBJ-UHFFFAOYSA-N |