1H-Indene-1,3(2H)-dione, 2-(4-(4-(3-chlorophenyl)-1-piperazinyl)butyl)-2-phenyl-, sulfate (1:1)
Basic information
- CAS
51099-52-6- Standard SMILES
O=C1c2ccccc2C(=O)C1(CCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1.O=S(=O)(O)O- InChIKey
HFEWGEUTDGZEMP-UHFFFAOYSA-N- Molecular formula
- C29H31ClN2O6S
- Average molar mass
- 571.1 g/mol
- Monoisotopic mass
- 570.1591356
Names & identifiers
- Preferred name
- 1H-Indene-1,3(2H)-dione, 2-(4-(4-(3-chlorophenyl)-1-piperazinyl)butyl)-2-phenyl-, sulfate (1:1)
- IUPAC
- 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-2-phenylindene-1,3-dione;sulfuric acid
Names & synonyms
1H-Indene-1,3(2H)-dione, 2-(4-(4-(3-chlorophenyl)-1-piperazinyl)butyl)-2-phenyl-, sulfate (1:1)51099-52-6DTXSID20199102RefChem:238517DTXCID10121593Sulfuric acid--2-{4-[4-(3-chlorophenyl)piperazin-1-yl]butyl}-2-phenyl-1H-indene-1,3(2H)-dione (1/1)
Database identifiers
- CAS
51099-52-6- PubChem CID
- 3039722
- DTXSID
DTXSID20199102
Properties
Computed structural properties
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 770
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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