Basic information
- CAS
34924-83-9- Standard SMILES
O=C1C(=CN2CCN(c3ccccc3)CC2)Cc2c(Cl)cccc21- InChIKey
LMQPEFFOPZAEAT-UHFFFAOYSA-N- Molecular formula
- C20H19ClN2O
- Average molar mass
- 338.8 g/mol
- Monoisotopic mass
- 338.1185909
Names & identifiers
- Preferred name
- 1H-Inden-1-one, 2,3-dihydro-4-chloro-2-((4-phenyl-1-piperazinyl)methylene)-
- IUPAC
- 4-chloro-2-[(4-phenylpiperazin-1-yl)methylidene]-3H-inden-1-one
Names & synonyms
1H-Inden-1-one, 2,3-dihydro-4-chloro-2-((4-phenyl-1-piperazinyl)methylene)-34924-83-9RefChem:1058109NSC 277480BRN 08936122,3-Dihydro-4-chloro-2-((4-phenyl-1-piperazinyl)methylene)-1H-inden-1-one5-23-02-00226 (Beilstein Handbook Reference)
Database identifiers
- CAS
34924-83-9- PubChem CID
- 99947
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 492
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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