Molecule

ID:128463

General Information
Structure
MolImage
Molecular Formula
C₂₅H₂₇FN₄O₂
Molecular Mass
434.5058832
Exact Mass
434.21180434
Charge
0
InChI
InChI=1S/C25H27FN4O2/c1-32-23-7-3-2-6-22(23)29-17-14-28(15-18-29)16-19-30(24-8-4-5-13-27-24)25(31)20-9-11-21(26)12-10-20/h2-13H,14-19H2,1H3
InChIKey
YJZYDPRMWYWYCG-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1N1CCN(CC1)CCN(C(=O)c1ccc(cc1)F)c1ccccn1
Isomeric Smiles
COc1ccccc1N1CCN(CC1)CCN(c1ccccn1)C(=O)c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.8806622
LogD (pH = 7.4)
3.978538
Log P
4.047897
Molar Refractivity
124.1113
Polarizability
46.79169
Polar Surface Area
48.91
Rotatable Bonds
7
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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