2-Propen-1-one, 1-(4-(2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy)phenyl)-3-(4-methoxyphenyl)-
Basic information
- CAS
36271-64-4- Standard SMILES
COc1ccc(/C=C/C(=O)c2ccc(OCC(O)CN3CCN(c4ccccc4)CC3)cc2)cc1- InChIKey
HDCVUXDCNMAFHW-CXUHLZMHSA-N- Molecular formula
- C29H32N2O4
- Average molar mass
- 472.6 g/mol
- Monoisotopic mass
- 472.23620751
Names & identifiers
- Preferred name
- 2-Propen-1-one, 1-(4-(2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy)phenyl)-3-(4-methoxyphenyl)-
- IUPAC
- (E)-1-[4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
Names & synonyms
2-Propen-1-one, 1-(4-(2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy)phenyl)-3-(4-methoxyphenyl)-36271-64-4RefChem:1064359BRN 05922841-(4-(2-Hydroxy-3-(4-phenyl-1-piperazinyl)propoxy)phenyl)-3-(4-methoxyphenyl)-2-propen-1-oneSCHEMBL3440502
Database identifiers
- CAS
36271-64-4- PubChem CID
- 6445484
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 641
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Compound notes
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