1-cyano-2-(cyclohexylideneamino)-N-phenyl-5,6,7,8-tetrahydroindolizine-3-carboxamide

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Basic information

Standard SMILES: N#Cc1c(N=C2CCCCC2)c(C(=O)Nc2ccccc2)n2c1CCCC2
InChIKey: RRLKRWCSDQQFCC-UHFFFAOYSA-N
Molecular formula: C22H24N4O
Average molar mass: 360.5 g/mol
Monoisotopic mass: 360.1950114

Names & identifiers

Preferred name: 1-cyano-2-(cyclohexylideneamino)-N-phenyl-5,6,7,8-tetrahydroindolizine-3-carboxamide
IUPAC: 1-cyano-2-(cyclohexylideneamino)-N-phenyl-5,6,7,8-tetrahydroindolizine-3-carboxamide

Names & synonyms

NSC696793NSC-6967931-cyano-2-(cyclohexylideneamino)-N-phenyl-5,6,7,8-tetrahydroindolizine-3-carboxamide1-Cyano-2-(cyclohexylideneamino)-N-phenyl-5,6,7,8-tetrahydro-3-indolizinecarboxamide

Database identifiers

PubChem CID: 393866

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 70.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 27
Formal charge: 0
Complexity: 607

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