Molecule

ID:71540

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₀N₂O₃
Molecular Mass
324.3737
Exact Mass
324.14739251
Charge
0
InChI
InChI=1S/C19H20N2O3/c1-24-15-5-3-2-4-14(15)20-9-21-18(22)16-10-6-7-11(13-8-12(10)13)17(16)19(21)23/h2-7,10-13,16-17,20H,8-9H2,1H3
InChIKey
IATZVIOTMMYCPL-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1NCN1C(=O)C2C(C1=O)C1C=CC2C2C1C2
Isomeric Smiles
C12C3C=CC(C1C(=O)N(CNc1c(cccc1)OC)C2=O)C1C3C1
Calculated Properties
JChem
Acid pKa
15.707893
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.3797117
LogD (pH = 7.4)
1.3826143
Log P
1.3826514
Molar Refractivity
90.388
Polarizability
34.222263
Polar Surface Area
58.64
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
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Molecule Details
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References
Bioactivity
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