Benzoic acid, 2-[(1E)-2-[4-(dimethylamino)phenyl]diazenyl]-, 2-(methylphenylamino)-2-oxoethyl ester

HCID 3986299

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Basic information

CAS: 1164464-84-9
Standard SMILES: CN(C)c1ccc(N=Nc2ccccc2C(=O)OCC(=O)N(C)c2ccccc2)cc1
InChIKey: REHIRLWIZZMGLP-UHFFFAOYSA-N
Molecular formula: C24H24N4O3
Average molar mass: 416.5 g/mol
Monoisotopic mass: 416.18484064

Names & identifiers

Preferred name: Benzoic acid, 2-[(1E)-2-[4-(dimethylamino)phenyl]diazenyl]-, 2-(methylphenylamino)-2-oxoethyl ester
IUPAC: [2-(N-methylanilino)-2-oxoethyl] 2-[[4-(dimethylamino)phenyl]diazenyl]benzoate

Names & synonyms

MLS000334898CHEMBL1429637DTXSID501040175HMS2618A07AKOS0306431331164464-84-9Benzoic acid, 2-[(1E)-2-[4-(dimethylamino)phenyl]diazenyl]-, 2-(methylphenylamino)-2-oxoethyl esterSMR000249656Z18987765

Database identifiers

CAS: 1164464-84-9
PubChem CID: 3986299
DTXSID: DTXSID501040175
ChEMBL: CHEMBL1429637

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 74.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 31
Formal charge: 0
Complexity: 610

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