Molecule

ID:60974

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₁FN₄O₂
Molecular Mass
344.3833432
Exact Mass
344.16485415
Charge
0
InChI
InChI=1S/C18H21FN4O2/c1-3-25-17(24)16-12-20-18(21-13(16)2)23-10-8-22(9-11-23)15-6-4-14(19)5-7-15/h4-7,12H,3,8-11H2,1-2H3
InChIKey
JKXLELWPQXSAGM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnc(nc1C)N1CCN(CC1)c1ccc(cc1)F
Isomeric Smiles
c1(nc(c(C(=O)OCC)cn1)C)N1CCN(c2ccc(cc2)F)CC1
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
3.2083654
LogD (pH = 7.4)
3.2091522
Log P
3.2091622
Molar Refractivity
95.2273
Polarizability
34.78388
Polar Surface Area
58.56
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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