Molecule

ID:108847

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₄N₄O₂
Molecular Mass
388.46226
Exact Mass
388.18992603
Charge
0
InChI
InChI=1S/C23H24N4O2/c1-16-20(22(28)26(24(16)3)18-11-7-5-8-12-18)15-21-17(2)25(4)27(23(21)29)19-13-9-6-10-14-19/h5-14H,15H2,1-4H3
InChIKey
QATHNKNPUVVKHK-UHFFFAOYSA-N
Canonic Smiles
Cc1c(Cc2c(C)n(n(c2=O)c2ccccc2)C)c(=O)n(n1C)c1ccccc1
Isomeric Smiles
Cn1n(c(=O)c(Cc2c(C)n(C)n(c2=O)c2ccccc2)c1C)c1ccccc1
Calculated Properties
JChem
Acid pKa
13.914492
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.3207467
LogD (pH = 7.4)
2.32075
Log P
2.32075
Molar Refractivity
115.1446
Polarizability
42.89752
Polar Surface Area
47.1
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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