Molecule

ID:59250

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₁N₃O₃
Molecular Mass
339.38834
Exact Mass
339.15829155
Charge
0
InChI
InChI=1S/C19H21N3O3/c20-18(21-25-19(23)17-4-2-1-3-5-17)16-8-6-15(7-9-16)14-22-10-12-24-13-11-22/h1-9H,10-14H2,(H2,20,21)
InChIKey
GWYURXGMEYCYPZ-UHFFFAOYSA-N
Canonic Smiles
N=C(c1ccc(cc1)CN1CCOCC1)NOC(=O)c1ccccc1
Isomeric Smiles
C(=N)(NOC(=O)c1ccccc1)c1ccc(CN2CCOCC2)cc1
Calculated Properties
JChem
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
0.7957858
LogD (pH = 7.4)
2.7371857
Log P
2.8753295
Molar Refractivity
117.4271
Polarizability
36.882195
Polar Surface Area
74.65
Rotatable Bonds
6
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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