Basic information
- CAS
149848-14-6- Standard SMILES
O=C(Cc1ccccc1)OC(CCN1CCN(CCC(OC(=O)Cc2ccccc2)c2ccccc2)CC1)c1ccccc1- InChIKey
GOWHKDSWQIDOCA-UHFFFAOYSA-N- Molecular formula
- C38H42N2O4
- Average molar mass
- 590.7 g/mol
- Monoisotopic mass
- 590.31445783
Names & identifiers
- Preferred name
- Benzeneacetic acid, 1,4-piperazinediylbis(1-phenyl-3,1-propanediyl) ester
- IUPAC
- [1-phenyl-3-[4-[3-phenyl-3-(2-phenylacetyl)oxypropyl]piperazin-1-yl]propyl] 2-phenylacetate
Names & synonyms
149848-14-6Benzeneacetic acid, 1,4-piperazinediylbis(1-phenyl-3,1-propanediyl) esterRefChem:10782801,4-Piperazinediylbis(1-phenyl-3,1-propanediyl) benzeneacetateDTXSID00933783(Piperazine-1,4-diyl)bis(1-phenylpropane-3,1-diyl) bis(phenylacetate)
Database identifiers
- CAS
149848-14-6- PubChem CID
- 3073545
- DTXSID
DTXSID00933783
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 16
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 751
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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