5-Bromo-1,3-dihydro-3-[(4,5,6,7-tetrahydro-1H-indol-2-yl)methylene]-2H-indol-2-one

HCID 5655

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Basic information

CAS: 204003-89-4
Standard SMILES: O=C1Nc2ccc(Br)cc2C1=Cc1cc2c([nH]1)CCCC2
InChIKey: RFHPWPWVGFSLOP-UHFFFAOYSA-N
Molecular formula: C17H15BrN2O
Average molar mass: 343.2 g/mol
Monoisotopic mass: 342.03678

Names & identifiers

Preferred name: 5-Bromo-1,3-dihydro-3-[(4,5,6,7-tetrahydro-1H-indol-2-yl)methylene]-2H-indol-2-one
IUPAC: 5-bromo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one

Names & synonyms

5-Bromo-1,3-dihydro-3-[(4,5,6,7-tetrahydro-1H-indol-2-yl)methylene]-2H-indol-2-one204003-89-4SCHEMBL2196609DTXSID0011320625-Bromo-3-[(4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1,3-dihydro-2H-indol-2-one

Database identifiers

CAS: 204003-89-4
PubChem CID: 5655
DTXSID: DTXSID001132062

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 44.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 21
Formal charge: 0
Complexity: 464

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