Molecule

ID:74632

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₄N₂O₄
Molecular Mass
392.44766
Exact Mass
392.17360726
Charge
0
InChI
InChI=1S/C23H24N2O4/c1-14(2)16-9-11-17(12-10-16)20(26)13-19(23(28)29)21-15(3)24-25(22(21)27)18-7-5-4-6-8-18/h4-12,14,19,21H,13H2,1-3H3,(H,28,29)
InChIKey
BYVMCUXQCMJSRL-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)C(=O)CC(C1C(=NN(C1=O)c1ccccc1)C)C(=O)O)C
Isomeric Smiles
N1(c2ccccc2)C(=O)C(C(CC(=O)c2ccc(cc2)C(C)C)C(=O)O)C(=N1)C
Calculated Properties
JChem
Acid pKa
3.8946075
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
2.2496815
LogD (pH = 7.4)
0.6442081
Log P
3.8605752
Molar Refractivity
109.1822
Polarizability
41.856636
Polar Surface Area
87.04
Rotatable Bonds
7
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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