1,3-Dioxol-2-one, 5-(2-(4-(3,4-dichlorophenyl)-1-piperazinyl)ethyl)-4-(4-fluorophenyl)-, hydrochloride
Basic information
- CAS
71923-07-4- Standard SMILES
O=c1oc(CC[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)c(-c2ccc(F)cc2)o1.[Cl-]- InChIKey
ZDBAUJSXXKECQJ-UHFFFAOYSA-N- Molecular formula
- C21H20Cl3FN2O3
- Average molar mass
- 473.7 g/mol
- Monoisotopic mass
- 472.052354
Names & identifiers
- Preferred name
- 1,3-Dioxol-2-one, 5-(2-(4-(3,4-dichlorophenyl)-1-piperazinyl)ethyl)-4-(4-fluorophenyl)-, hydrochloride
- IUPAC
- 4-[2-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]ethyl]-5-(4-fluorophenyl)-1,3-dioxol-2-one chloride
Names & synonyms
71923-07-41,3-Dioxol-2-one, 5-(2-(4-(3,4-dichlorophenyl)-1-piperazinyl)ethyl)-4-(4-fluorophenyl)-, hydrochloride5-(2-(4-(3,4-Dichlorophenyl)-1-piperazinyl)ethyl)-4-(4-fluorophenyl)-1,3-dioxol-2-one HClRefChem:218890
Database identifiers
- CAS
71923-07-4- PubChem CID
- 51448
Properties
Computed structural properties
- Topological polar surface area
- 43.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 619
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Compound notes
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