Basic information
- CAS
1012675-18-1- Standard SMILES
O=C(COC(=O)CCC(=O)c1ccccc1)Nc1ccc(N=Nc2ccccc2)cc1- InChIKey
VRUPDPPBFBBHMH-UHFFFAOYSA-N- Molecular formula
- C24H21N3O4
- Average molar mass
- 415.4 g/mol
- Monoisotopic mass
- 415.15320616
Names & identifiers
- Preferred name
- Benzenebutanoic acid, gamma-oxo-, 2-oxo-2-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl ester
- IUPAC
- [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 4-oxo-4-phenylbutanoate
Names & synonyms
DTXSID501040737AKOS0008882791012675-18-1Benzenebutanoic acid, .gamma.-oxo-, 2-oxo-2-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl ester
Database identifiers
- CAS
1012675-18-1- PubChem CID
- 18266604
- DTXSID
DTXSID501040737
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 97.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 616
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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