1,3-Indandione, 2-(4-(4-(m-chlorophenyl)-1-piperazinyl)-2-butyn-1-yl)-2-phenyl-
Basic information
- CAS
37612-30-9- Standard SMILES
O=C1c2ccccc2C(=O)C1(CC#CCN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1- InChIKey
KOTKZTOQEWEQCQ-UHFFFAOYSA-N- Molecular formula
- C29H25ClN2O2
- Average molar mass
- 469 g/mol
- Monoisotopic mass
- 468.1604557
Names & identifiers
- Preferred name
- 1,3-Indandione, 2-(4-(4-(m-chlorophenyl)-1-piperazinyl)-2-butyn-1-yl)-2-phenyl-
- IUPAC
- 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]but-2-ynyl]-2-phenylindene-1,3-dione
Names & synonyms
BRN 08630731,3-Indandione, 2-(4-(4-(m-chlorophenyl)-1-piperazinyl)-2-butyn-1-yl)-2-phenyl-37612-30-9DTXSID901910525-23-02-00239 (Beilstein Handbook Reference)2-(4-(4-(m-Chlorophenyl)-1-piperazinyl)-2-butyn-1-yl)-2-phenyl-1,3-indandioneRefChem:219288DTXCID001135432-{4-[4-(3-chlorophenyl)piperazin-1-yl]but-2-yn-1-yl}-2-phenyl-1h-indene-1,3(2h)-dione
Database identifiers
- CAS
37612-30-9- PubChem CID
- 216685
- DTXSID
DTXSID90191052
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 790
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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