Molecule

ID:96616

General Information
Structure
MolImage
Molecular Formula
C₂₅H₂₄F₃N₃OS
Molecular Mass
471.5377696
Exact Mass
471.15921806
Charge
0
InChI
InChI=1S/C25H24F3N3OS/c26-25(27,28)22-10-5-11-29-23(22)30-12-14-31(15-13-30)24(32)21-9-4-8-20(16-21)18-33-17-19-6-2-1-3-7-19/h1-11,16H,12-15,17-18H2
InChIKey
VEDLEMWGBIMQDL-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cccc(c1)CSCc1ccccc1)N1CCN(CC1)c1ncccc1C(F)(F)F
Isomeric Smiles
N1(c2ncccc2C(F)(F)F)CCN(C(=O)c2cccc(c2)CSCc2ccccc2)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.4820375
LogD (pH = 7.4)
5.7509174
Log P
5.7558355
Molar Refractivity
127.766
Polarizability
46.93008
Polar Surface Area
36.44
Rotatable Bonds
7
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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