Agn-PC-0LP084
4-[6a,9a-dichloro-8-(4-fluorophenyl)-6-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-1,3,7,9-tetraoxo-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindol-2-yl]-2-hydroxybenzoic acid
Also Known As: AGN-PC-0LP084|DAP1_010058|4-[6a,9a-Dichloro-8-(4-fluorophenyl)-6-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethen-1-yl]-1,3,7,9-tetraoxo-3,3a,4,6,6a,7,8,9,9a,10,10a,10b-dodecahydroisoindolo[5,6-e]isoindol-2(1H)-yl]-2-hydroxybenzoic acid
| Molecular Formula | C37H29Cl2FN2O10 |
|---|---|
| Molecular Weight | 750.11835 g/mol |
| LogP | 5.2661 |
| Topological Polar Surface Area | 170.98 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 750.11835 |
| Monoisotopic Mass | 750.11835 |
| Heavy Atoms | 52 |
| Complexity | 2130.6687 |
Chemical Identifiers
| CAS Number | 6063-24-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)OC)C=CC2C3=CCC4C(C3CC5(C2(C(=O)N(C5=O)C6=CC=C(C=C6)F)Cl)Cl)C(=O)N(C4=O)C7=CC(=C(C=C7)C(=O)O)O |
Product Overview
Agn-PC-0LP084 (CAS 6063-24-7), with molecular formula C37H29Cl2FN2O10 and molecular weight 750.11835 g/mol. IUPAC: 4-[6a,9a-dichloro-8-(4-fluorophenyl)-6-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-1,3,7,9-tetraoxo-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindol-2-yl]-2-hydroxybenzoic acid.
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