Molecule

ID:96637

General Information
Structure
MolImage
Molecular Formula
C₂₄H₁₇Cl₂F₃N₄O₂
Molecular Mass
521.3185896
Exact Mass
520.06806582
Charge
0
InChI
InChI=1S/C24H17Cl2F3N4O2/c1-13-3-6-17(9-14(13)2)33-22(31-23(34)16-10-20(25)30-21(26)11-16)12-19(32-33)15-4-7-18(8-5-15)35-24(27,28)29/h3-12H,1-2H3,(H,31,34)
InChIKey
JOGKNUPSRVQKAK-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)cc(c1)C(=O)Nc1cc(nn1c1ccc(c(c1)C)C)c1ccc(cc1)OC(F)(F)F
Isomeric Smiles
n1(c2ccc(c(c2)C)C)c(cc(n1)c1ccc(cc1)OC(F)(F)F)NC(=O)c1cc(nc(c1)Cl)Cl
Calculated Properties
JChem
Acid pKa
10.67177
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
8.162005
LogD (pH = 7.4)
8.16182
Log P
8.162042
Molar Refractivity
126.6987
Polarizability
49.190914
Polar Surface Area
69.04
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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