1,3-Indandione, 2-p-chlorophenyl-2-(3-(4-(o-methoxyphenyl)-1-piperazinyl)propyl)-, hydrochloride, hydrate
Basic information
- CAS
31805-01-3- Standard SMILES
COc1ccccc1N1CCN(CCCC2(c3ccc(Cl)cc3)C(=O)c3ccccc3C2=O)CC1.Cl- InChIKey
JEUNMPDNQNKHNQ-UHFFFAOYSA-N- Molecular formula
- C29H30Cl2N2O3
- Average molar mass
- 525.5 g/mol
- Monoisotopic mass
- 524.1633482
Names & identifiers
- Preferred name
- 1,3-Indandione, 2-p-chlorophenyl-2-(3-(4-(o-methoxyphenyl)-1-piperazinyl)propyl)-, hydrochloride, hydrate
- IUPAC
- 2-(4-chlorophenyl)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indene-1,3-dione;hydrochloride
Names & synonyms
31805-01-31,3-Indandione, 2-p-chlorophenyl-2-(3-(4-(o-methoxyphenyl)-1-piperazinyl)propyl)-, hydrochloride, hydrateDTXSID30185677RefChem:219333DTXCID701081682-(4-Chlorophenyl)-2-{3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl}-1H-indene-1,3(2H)-dione--hydrogen chloride (1/1)
Database identifiers
- CAS
31805-01-3- PubChem CID
- 208231
- DTXSID
DTXSID30185677
Properties
Computed structural properties
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 720
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Compound notes
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