Molecule

ID:129451

General Information
Structure
MolImage
Molecular Formula
C₂₆H₂₄FN₃O₃
Molecular Mass
445.4854632
Exact Mass
445.18016986
Charge
0
InChI
InChI=1S/C26H24FN3O3/c27-22-13-11-19(12-14-22)17-28-24(31)29-15-16-30-23(18-29)26(33-25(30)32,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23H,15-18H2,(H,28,31)
InChIKey
SFRQIPRTNYHJHP-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)CNC(=O)N1CCN2C(C1)C(OC2=O)(c1ccccc1)c1ccccc1
Isomeric Smiles
c1ccccc1C1(c2ccccc2)OC(=O)N2C1CN(CC2)C(=O)NCc1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
14.407643
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.049679
LogD (pH = 7.4)
4.049679
Log P
4.049679
Molar Refractivity
121.2938
Polarizability
46.68549
Polar Surface Area
61.88
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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