Molecule

ID:66458

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₂F₂N₂O
Molecular Mass
392.4410864
Exact Mass
392.17001977
Charge
0
InChI
InChI=1S/C24H22F2N2O/c25-21-7-3-19(4-8-21)24(20-5-9-22(26)10-6-20)28-15-13-27(14-16-28)23-11-1-18(17-29)2-12-23/h1-12,17,24H,13-16H2
InChIKey
HSHAONIIJLIMFN-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)N1CCN(CC1)C(c1ccc(cc1)F)c1ccc(cc1)F
Isomeric Smiles
C(=O)c1ccc(cc1)N1CCN(CC1)C(c1ccc(cc1)F)c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.762166
LogD (pH = 7.4)
5.4151907
Log P
5.4350286
Molar Refractivity
112.4489
Polarizability
41.847965
Polar Surface Area
23.55
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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