Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl ester

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Basic information

CAS: 723333-94-6
Standard SMILES: CN(C)c1ccc(N=Nc2ccccc2C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc1
InChIKey: RRGNFDXSLPKBIF-UHFFFAOYSA-N
Molecular formula: C22H19Cl2N5O3
Average molar mass: 472.3 g/mol
Monoisotopic mass: 471.0864949

Names & identifiers

Preferred name: Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl ester
IUPAC: [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[[4-(dimethylamino)phenyl]diazenyl]benzoate

Names & synonyms

DTXSID401040239AKOS030681930723333-94-6Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl esterZ18986936

Database identifiers

CAS: 723333-94-6
PubChem CID: 3497657
DTXSID: DTXSID401040239

Properties

Computed structural properties

XLogP: 5.1
Topological polar surface area: 96.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 32
Formal charge: 0
Complexity: 657

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Compound notes

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