benzyl 4-[4-(dimethylamino)phenyl]-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
Chemical Structure Depiction of
benzyl 4-[4-(dimethylamino)phenyl]-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
benzyl 4-[4-(dimethylamino)phenyl]-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
Compound characteristics
| Compound ID: | D046-0057 |
| Compound Name: | benzyl 4-[4-(dimethylamino)phenyl]-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate |
| Molecular Weight: | 421.5 |
| Molecular Formula: | C24 H27 N3 O4 |
| Smiles: | CC1(Cc2c(C(C1C(=O)OCc1ccccc1)c1ccc(cc1)N(C)C)c(n[nH]2)O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1334 |
| logD: | 2.5476 |
| logSw: | -3.16 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.098 |
| InChI Key: | JAHOSWLVZARMFD-UHFFFAOYSA-N |