1,3-Dioxol-2-one, 4-(4-(methylthio)phenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-, dihydrochloride
Basic information
- CAS
71923-10-9- Standard SMILES
CSc1ccc(-c2oc(=O)oc2CCN2CCN(c3ccccc3)CC2)cc1.Cl.Cl- InChIKey
DAGBUFHTZRLFSM-UHFFFAOYSA-N- Molecular formula
- C22H26Cl2N2O3S
- Average molar mass
- 469.4 g/mol
- Monoisotopic mass
- 468.1041193
Names & identifiers
- Preferred name
- 1,3-Dioxol-2-one, 4-(4-(methylthio)phenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-, dihydrochloride
- IUPAC
- 4-(4-methylsulfanylphenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one;dihydrochloride
- English name
- 1,3-Dioxol-2-one, 4-(4-(methylthio)phenyl)-5-(2-(4-phenyl-1-piperaziny l)ethyl)-, dihydrochloride
- Molecular weight
- 0
Names & synonyms
71923-10-94-(4-(Methylthio)phenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-1,3-dioxol-2-one dihydrochloride1,3-Dioxol-2-one, 4-(4-(methylthio)phenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-, dihydrochlorideRefChem:218880SCHEMBL11473039DTXSID309926261,3-Dioxol-2-one, 4-(4-(methylthio)phenyl)-5-(2-(4-phenyl-1-piperaziny l)ethyl)-, dihydrochloride4-[4-(Methylsulfanyl)phenyl]-5-[2-(4-phenylpiperazin-1-yl)ethyl]-2H-1,3-dioxol-2-one--hydrogen chloride (1/2)
Database identifiers
- CAS
71923-10-9- PubChem CID
- 3055014
- DTXSID
DTXSID30992626
Properties
Computed structural properties
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 560
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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