2H-Isoindole-1-carboxylic acid, 5-chloro-3-(4-chlorophenyl)-2-(2-(diethylamino)ethyl)-, ethyl ester

HCID 3045897

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Basic information

CAS: 61295-40-7
Standard SMILES: CCOC(=O)c1c2ccc(Cl)cc2c(-c2ccc(Cl)cc2)n1CCN(CC)CC
InChIKey: INIOXOMHSKYVQY-UHFFFAOYSA-N
Molecular formula: C23H26Cl2N2O2
Average molar mass: 433.4 g/mol
Monoisotopic mass: 432.1371335

Names & identifiers

Preferred name: 2H-Isoindole-1-carboxylic acid, 5-chloro-3-(4-chlorophenyl)-2-(2-(diethylamino)ethyl)-, ethyl ester
IUPAC: ethyl 5-chloro-3-(4-chlorophenyl)-2-[2-(diethylamino)ethyl]isoindole-1-carboxylate

Names & synonyms

2H-Isoindole-1-carboxylic acid, 5-chloro-3-(4-chlorophenyl)-2-(2-(diethylamino)ethyl)-, ethyl ester5-Chloro-3-(p-chlorophenyl)-2-(2-(diethylamino)ethyl)isoindole-1-carboxylic acid ethyl ester61295-40-7DTXSID80210185RefChem:268743DTXCID80132676SCHEMBL11609574Ethyl 5-chloro-3-(4-chlorophenyl)-2-[2-(diethylamino)ethyl]-2H-isoindole-1-carboxylate

Database identifiers

CAS: 61295-40-7
PubChem CID: 3045897
DTXSID: DTXSID80210185

Properties

Computed structural properties

XLogP: 6.1
Topological polar surface area: 34.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 9
Heavy atoms: 29
Formal charge: 0
Complexity: 523

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