methyl 4-(4-bromophenyl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
Chemical Structure Depiction of
methyl 4-(4-bromophenyl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
methyl 4-(4-bromophenyl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
Compound characteristics
| Compound ID: | D046-0010 |
| Compound Name: | methyl 4-(4-bromophenyl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate |
| Molecular Weight: | 381.22 |
| Molecular Formula: | C16 H17 Br N2 O4 |
| Smiles: | CC1(Cc2c(C(C1C(=O)OC)c1ccc(cc1)[Br])c(n[nH]2)O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2535 |
| logD: | 1.6677 |
| logSw: | -2.595 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.609 |
| InChI Key: | JENOUMXOKMRUBZ-UHFFFAOYSA-N |