Molecule

ID:79271

General Information
Structure
Molecular Formula
C₁₇H₂₀Cl₂N₄O₂
Molecular Mass
383.2723
Exact Mass
382.09633126
Charge
0
InChI
InChI=1S/C17H20Cl2N4O2/c1-11-5-7-12(8-6-11)23-15(24)14(19)13(9-20-23)22(4)21-16(25)17(2,3)10-18/h5-9H,10H2,1-4H3,(H,21,25)
InChIKey
UPKQEFUAYWOTCK-UHFFFAOYSA-N
Canonic Smiles
ClCC(C(=O)NN(c1cnn(c(=O)c1Cl)c1ccc(cc1)C)C)(C)C
Isomeric Smiles
n1(c2ccc(cc2)C)c(=O)c(c(cn1)N(NC(=O)C(CCl)(C)C)C)Cl
Calculated Properties
JChem
Acid pKa
9.73532
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.9566634
LogD (pH = 7.4)
2.9549124
Log P
2.9566858
Molar Refractivity
100.2612
Polarizability
37.541927
Polar Surface Area
65.01
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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