Molecule
ID:122684
General Information
Molecular Formula
C₁₉H₂₄ClN₃O₂
Molecular Mass
361.86576
Exact Mass
361.1557047
Charge
0
InChI
InChI=1S/C19H23N3O2.ClH/c1-22(2)14-8-13-20-19(24)16-11-6-7-12-17(16)21-18(23)15-9-4-3-5-10-15;/h3-7,9-12H,8,13-14H2,1-2H3,(H,20,24)(H,21,23);1H
InChIKey
BZAMXUYQJQFERA-UHFFFAOYSA-N
Canonic Smiles
CN(CCCNC(=O)c1ccccc1NC(=O)c1ccccc1)C.Cl
Isomeric Smiles
c1(c(NC(=O)c2ccccc2)cccc1)C(=O)NCCCN(C)C.Cl
Calculated Properties
JChem
Acid pKa
10.585591
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.45564562
LogD (pH = 7.4)
0.9755764
Log P
2.6906683
Molar Refractivity
98.4511
Polarizability
36.50335
Polar Surface Area
61.44
Rotatable Bonds
7
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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