Molecule

ID:36306

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₉F₃N₂O₄
Molecular Mass
396.3603696
Exact Mass
396.12969176
Charge
0
InChI
InChI=1S/C19H19F3N2O4/c1-28-15-8-6-14(7-9-15)24(12-18(26)27)11-17(25)23-10-13-4-2-3-5-16(13)19(20,21)22/h2-9H,10-12H2,1H3,(H,23,25)(H,26,27)
InChIKey
ZUXVZYVZGAPOOA-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)N(CC(=O)O)CC(=O)NCc1ccccc1C(F)(F)F
Isomeric Smiles
C(c1c(CNC(=O)CN(CC(=O)O)c2ccc(cc2)OC)cccc1)(F)(F)F
Calculated Properties
JChem
Acid pKa
3.7940416
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.1906894
LogD (pH = 7.4)
-0.3664689
Log P
2.8986402
Molar Refractivity
96.4242
Polarizability
35.686226
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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