prop-2-en-1-yl 4-(3,4-dimethoxyphenyl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 4-(3,4-dimethoxyphenyl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
prop-2-en-1-yl 4-(3,4-dimethoxyphenyl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
Compound characteristics
| Compound ID: | D046-0039 |
| Compound Name: | prop-2-en-1-yl 4-(3,4-dimethoxyphenyl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate |
| Molecular Weight: | 388.42 |
| Molecular Formula: | C20 H24 N2 O6 |
| Smiles: | CC1(Cc2c(C(C1C(=O)OCC=C)c1ccc(c(c1)OC)OC)c(n[nH]2)O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7445 |
| logD: | 1.1587 |
| logSw: | -2.0329 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.744 |
| InChI Key: | NELMRGRKUOASIK-UHFFFAOYSA-N |