Basic information
- CAS
6062-61-9- Standard SMILES
COc1cc(C2C3=CCC4C(=O)N(CCc5ccc(O)cc5)C(=O)C4C3CC3(Cl)C(=O)N(c4ccc(F)cc4)C(=O)C23Cl)cc(I)c1O- InChIKey
ZTAZEBBGFUDYNC-UHFFFAOYSA-N- Molecular formula
- C35H28Cl2FIN2O7
- Average molar mass
- 805.4 g/mol
- Monoisotopic mass
- 804.03023
Names & identifiers
- Preferred name
- Agn-PC-0lodjf
- IUPAC
- 6a,9a-dichloro-8-(4-fluorophenyl)-6-(4-hydroxy-3-iodo-5-methoxyphenyl)-2-[2-(4-hydroxyphenyl)ethyl]-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
Names & synonyms
6062-61-9AGN-PC-0LODJFDTXSID404095786a,9a-Dichloro-8-(4-fluorophenyl)-6-(4-hydroxy-3-iodo-5-methoxyphenyl)-2-[2-(4-hydroxyphenyl)ethyl]-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tetrone
Database identifiers
- CAS
6062-61-9- PubChem CID
- 5202020
- DTXSID
DTXSID40409578
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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