Basic information
- CAS
6058-32-8- Standard SMILES
CC(=O)c1ccc(N2C(=O)C3CC=C4C(CC5(Cl)C(=O)N(C)C(=O)C5(Cl)C4c4ccccc4O)C3C2=O)cc1- InChIKey
KJIHBOXRAQIISL-UHFFFAOYSA-N- Molecular formula
- C29H24Cl2N2O6
- Average molar mass
- 567.4 g/mol
- Monoisotopic mass
- 566.1011419
Names & identifiers
- Preferred name
- Agn-PC-0lodfg
- IUPAC
- 2-(4-acetylphenyl)-6a,9a-dichloro-6-(2-hydroxyphenyl)-8-methyl-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
Names & synonyms
6058-32-8AGN-PC-0LODFGDTXSID904095682-(4-Acetylphenyl)-6a,9a-dichloro-6-(2-hydroxyphenyl)-8-methyl-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tetrone
Database identifiers
- CAS
6058-32-8- PubChem CID
- 5201841
- DTXSID
DTXSID90409568
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,180
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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