Molecule

ID:66471

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₄F₂N₂O
Molecular Mass
394.4569664
Exact Mass
394.18566984
Charge
0
InChI
InChI=1S/C24H24F2N2O/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/h1-12,24,29H,13-17H2
InChIKey
PHLQLSLUCRCQMI-UHFFFAOYSA-N
Canonic Smiles
OCc1ccc(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
Acid pKa
15.143572
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.566172
LogD (pH = 7.4)
4.8419313
Log P
4.955177
Molar Refractivity
112.6808
Polarizability
42.409195
Polar Surface Area
26.71
Rotatable Bonds
5
Lipinski's Rule of Five
true
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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