prop-2-en-1-yl 3,6-dihydroxy-4-(3-methoxyphenyl)-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 3,6-dihydroxy-4-(3-methoxyphenyl)-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
prop-2-en-1-yl 3,6-dihydroxy-4-(3-methoxyphenyl)-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
Compound characteristics
| Compound ID: | D046-0026 |
| Compound Name: | prop-2-en-1-yl 3,6-dihydroxy-4-(3-methoxyphenyl)-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate |
| Molecular Weight: | 358.39 |
| Molecular Formula: | C19 H22 N2 O5 |
| Smiles: | CC1(Cc2c(C(C1C(=O)OCC=C)c1cccc(c1)OC)c(n[nH]2)O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1022 |
| logD: | 1.5164 |
| logSw: | -2.6869 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.027 |
| InChI Key: | FXSIRFOWSICKNB-UHFFFAOYSA-N |