Basic information
- CAS
6060-50-0- Standard SMILES
COc1cccc(O)c1C1C2=CCC3C(=O)NC(=O)C3C2CC2(Cl)C(=O)N(c3ccc(F)cc3)C(=O)C12Cl- InChIKey
OMYFWBBUDPKVCO-UHFFFAOYSA-N- Molecular formula
- C27H21Cl2FN2O6
- Average molar mass
- 559.4 g/mol
- Monoisotopic mass
- 558.0760699
Names & identifiers
- Preferred name
- Agn-PC-0loqva
- IUPAC
- 6a,9a-dichloro-8-(4-fluorophenyl)-6-(2-hydroxy-6-methoxyphenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
Names & synonyms
6060-50-0AGN-PC-0LOQVADTXSID504112486a,9a-Dichloro-8-(4-fluorophenyl)-6-(2-hydroxy-6-methoxyphenyl)-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tetrone
Database identifiers
- CAS
6060-50-0- PubChem CID
- 5223606
- DTXSID
DTXSID50411248
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,110
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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