Molecule

ID:66483

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₅F₂N₃
Molecular Mass
393.4722064
Exact Mass
393.20165426
Charge
0
InChI
InChI=1S/C24H25F2N3/c25-21-7-3-19(4-8-21)24(20-5-9-22(26)10-6-20)29-15-13-28(14-16-29)17-18-1-11-23(27)12-2-18/h1-12,24H,13-17,27H2
InChIKey
MCHJHYOGYPFAMJ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)CN1CCN(CC1)C(c1ccc(cc1)F)c1ccc(cc1)F
Isomeric Smiles
Nc1ccc(cc1)CN1CCN(CC1)C(c1ccc(cc1)F)c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.2284074
LogD (pH = 7.4)
4.001771
Log P
4.7269535
Molar Refractivity
114.6794
Polarizability
43.318893
Polar Surface Area
32.5
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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