(5RS)-2-phenyl-5-(3,4,5-trimethoxyphenyl)-3,3a,4,5-tetrahydro-2H,8H-[1,3]benzodioxolo[5,6-g]indazole-4-carboxylic acid
Chemical Structure Depiction of
(5RS)-2-phenyl-5-(3,4,5-trimethoxyphenyl)-3,3a,4,5-tetrahydro-2H,8H-[1,3]benzodioxolo[5,6-g]indazole-4-carboxylic acid
(5RS)-2-phenyl-5-(3,4,5-trimethoxyphenyl)-3,3a,4,5-tetrahydro-2H,8H-[1,3]benzodioxolo[5,6-g]indazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y043-3512 |
| Compound Name: | (5RS)-2-phenyl-5-(3,4,5-trimethoxyphenyl)-3,3a,4,5-tetrahydro-2H,8H-[1,3]benzodioxolo[5,6-g]indazole-4-carboxylic acid |
| Molecular Weight: | 502.52 |
| Molecular Formula: | C28 H26 N2 O7 |
| Smiles: | COc1cc(cc(c1OC)OC)[C@H]1C(C2CN(c3ccccc3)N=C2c2cc3c(cc12)OCO3)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3483 |
| logD: | 2.0922 |
| logSw: | -4.4326 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.977 |
| InChI Key: | QCYIDHCGZBASQZ-WDEWVQCLSA-N |