Agn-PC-0loima
2-(4-bromophenyl)-8-(2,4-dichloroanilino)-6-(2-hydroxy-3-prop-2-enylphenyl)-6a-(4-methoxyphenyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
Also Known As: AGN-PC-0LOIMA|DAP1_017710|2-(4-Bromophenyl)-8-(2,4-dichloroanilino)-6-[2-hydroxy-3-(prop-2-en-1-yl)phenyl]-6a-(4-methoxyphenyl)-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tetrone
| Molecular Formula | C42H34BrCl2N3O6 |
|---|---|
| Molecular Weight | 825.1008 g/mol |
| LogP | 8.3881 |
| Topological Polar Surface Area | 116.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 825.1008 |
| Monoisotopic Mass | 825.1008 |
| Heavy Atoms | 54 |
| Complexity | 2278.5493 |
Chemical Identifiers
| CAS Number | 6070-89-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C23C(CC4C5C(CC=C4C2C6=CC=CC(=C6O)CC=C)C(=O)N(C5=O)C7=CC=C(C=C7)Br)C(=O)N(C3=O)NC8=C(C=C(C=C8)Cl)Cl |
Product Overview
Agn-PC-0loima (CAS 6070-89-9), with molecular formula C42H34BrCl2N3O6 and molecular weight 825.1008 g/mol. IUPAC: 2-(4-bromophenyl)-8-(2,4-dichloroanilino)-6-(2-hydroxy-3-prop-2-enylphenyl)-6a-(4-methoxyphenyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone.
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