2H-Isoindole-2-acetic acid, octahydro-1,3-dioxo-, 2-oxo-2-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl ester
Basic information
- CAS
1087773-31-6- Standard SMILES
O=C(COC(=O)CN1C(=O)C2CCCCC2C1=O)Nc1ccc(N=Nc2ccccc2)cc1- InChIKey
JUPPABNEHAXHOT-UHFFFAOYSA-N- Molecular formula
- C24H24N4O5
- Average molar mass
- 448.5 g/mol
- Monoisotopic mass
- 448.17466988
Names & identifiers
- Preferred name
- 2H-Isoindole-2-acetic acid, octahydro-1,3-dioxo-, 2-oxo-2-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl ester
- IUPAC
- [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
Names & synonyms
DTXSID101039017AKOS0307393021087773-31-62H-Isoindole-2-acetic acid, octahydro-1,3-dioxo-, 2-oxo-2-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl esterZ21392496
Database identifiers
- CAS
1087773-31-6- PubChem CID
- 42902451
- DTXSID
DTXSID101039017
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 747
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Compound notes
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