prop-2-en-1-yl 4-(4-ethoxyphenyl)-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-ethoxyphenyl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
prop-2-en-1-yl 4-(4-ethoxyphenyl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
Compound characteristics
| Compound ID: | D046-0043 |
| Compound Name: | prop-2-en-1-yl 4-(4-ethoxyphenyl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate |
| Molecular Weight: | 372.42 |
| Molecular Formula: | C20 H24 N2 O5 |
| Smiles: | CCOc1ccc(cc1)C1C(C(=O)OCC=C)C(C)(Cc2c1c(n[nH]2)O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4455 |
| logD: | 1.8597 |
| logSw: | -2.6013 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.606 |
| InChI Key: | XQFSBGIWVHRTNS-UHFFFAOYSA-N |