prop-2-en-1-yl 4-(4-tert-butylphenyl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 4-(4-tert-butylphenyl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
prop-2-en-1-yl 4-(4-tert-butylphenyl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
Compound characteristics
| Compound ID: | D046-0037 |
| Compound Name: | prop-2-en-1-yl 4-(4-tert-butylphenyl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate |
| Molecular Weight: | 384.47 |
| Molecular Formula: | C22 H28 N2 O4 |
| Smiles: | CC(C)(C)c1ccc(cc1)C1C(C(=O)OCC=C)C(C)(Cc2c1c(n[nH]2)O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.871 |
| logD: | 3.2852 |
| logSw: | -3.9677 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.483 |
| InChI Key: | RXEFEKFVTCJSBE-UHFFFAOYSA-N |