benzyl 4-(3-bromophenyl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
Chemical Structure Depiction of
benzyl 4-(3-bromophenyl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
benzyl 4-(3-bromophenyl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
Compound characteristics
| Compound ID: | D046-0056 |
| Compound Name: | benzyl 4-(3-bromophenyl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate |
| Molecular Weight: | 457.32 |
| Molecular Formula: | C22 H21 Br N2 O4 |
| Smiles: | CC1(Cc2c(C(C1C(=O)OCc1ccccc1)c1cccc(c1)[Br])c(n[nH]2)O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.895 |
| logD: | 3.3092 |
| logSw: | -4.0113 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.293 |
| InChI Key: | JWZJPNDOTGAJSM-UHFFFAOYSA-N |