Molecule
ID:61035
General Information
Molecular Formula
C₁₉H₂₀FN₅O₂
Molecular Mass
369.3928032
Exact Mass
369.16010313
Charge
0
InChI
InChI=1S/C19H20FN5O2/c1-5-27-19(26)17-15(10-11-24(3)4)25-18(22-21-17)16(12(2)23-25)13-6-8-14(20)9-7-13/h6-11H,5H2,1-4H3/b11-10+
InChIKey
KXOOEFWQTSZVQS-ZHACJKMWSA-N
Canonic Smiles
CCOC(=O)c1nnc2n(c1/C=C/N(C)C)nc(c2c1ccc(cc1)F)C
Isomeric Smiles
c12n(c(c(nn2)C(=O)OCC)/C=C/N(C)C)nc(c1c1ccc(cc1)F)C
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.2720706
LogD (pH = 7.4)
2.324152
Log P
2.3853736
Molar Refractivity
113.2512
Polarizability
38.499775
Polar Surface Area
72.62
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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