Molecule

ID:36293

General Information
Structure
Molecular Formula
C₁₉H₂₁FN₂O₄
Molecular Mass
360.3794432
Exact Mass
360.14853538
Charge
0
InChI
InChI=1S/C19H21FN2O4/c1-26-17-7-5-16(6-8-17)22(13-19(24)25)12-18(23)21-10-9-14-3-2-4-15(20)11-14/h2-8,11H,9-10,12-13H2,1H3,(H,21,23)(H,24,25)
InChIKey
UFMGEOFBTVNVHZ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)N(CC(=O)O)CC(=O)NCCc1cccc(c1)F
Isomeric Smiles
N(CC(=O)NCCc1cc(F)ccc1)(CC(=O)O)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
3.9375079
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
0.88259053
LogD (pH = 7.4)
-0.741655
Log P
2.4521546
Molar Refractivity
95.4219
Polarizability
36.061913
Polar Surface Area
78.87
Rotatable Bonds
9
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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