Molecule

ID:43643

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₈N₂O₃
Molecular Mass
392.49072
Exact Mass
392.20999277
Charge
0
InChI
InChI=1S/C24H28N2O3/c27-22-12-11-21(24(28)29)23(19-9-5-2-6-10-19)26(22)20-13-15-25(16-14-20)17-18-7-3-1-4-8-18/h1-10,20-21,23H,11-17H2,(H,28,29)
InChIKey
VCJFXNVVJSJGQM-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCC(=O)N(C1c1ccccc1)C1CCN(CC1)Cc1ccccc1
Isomeric Smiles
N1(C(C(C(=O)O)CCC1=O)c1ccccc1)C1CCN(CC1)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
4.1521482
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.26602083
LogD (pH = 7.4)
0.25437096
Log P
0.27598786
Molar Refractivity
112.188
Polarizability
43.803864
Polar Surface Area
60.85
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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