1-Propanone, 1-(4-((2-hydroxy-3-(4-phenyl-1-piperazinyl)propyl)thio)phenyl)-, (+-)-
Basic information
- CAS
36115-60-3- Standard SMILES
CCC(=O)c1ccc(SCC(O)CN2CCN(c3ccccc3)CC2)cc1- InChIKey
SXDCKORUIGFXIX-UHFFFAOYSA-N- Molecular formula
- C22H28N2O2S
- Average molar mass
- 384.5 g/mol
- Monoisotopic mass
- 384.18714931
Names & identifiers
- Preferred name
- 1-Propanone, 1-(4-((2-hydroxy-3-(4-phenyl-1-piperazinyl)propyl)thio)phenyl)-, (+-)-
- IUPAC
- 1-[4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]sulfanylphenyl]propan-1-one
Names & synonyms
BRN 057666136115-60-35-23-02-00152 (Beilstein Handbook Reference)(+-)-1-(4-((2-Hydroxy-3-(4-phenyl-1-piperazinyl)propyl)thio)phenyl)-1-propanone1-Propanone, 1-(4-((2-hydroxy-3-(4-phenyl-1-piperazinyl)propyl)thio)phenyl)-, (+-)-RefChem:2348121-(4-{[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]sulfanyl}phenyl)propan-1-oneDTXSID90957519
Database identifiers
- CAS
36115-60-3- PubChem CID
- 215713
- DTXSID
DTXSID90957519
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 69.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 440
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Compound notes
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