Molecule

ID:36134

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₂FN₃OS
Molecular Mass
359.4608832
Exact Mass
359.14676156
Charge
0
InChI
InChI=1S/C19H22FN3OS/c1-14(25-16-8-6-15(21)7-9-16)19(24)23-12-10-22(11-13-23)18-5-3-2-4-17(18)20/h2-9,14H,10-13,21H2,1H3
InChIKey
ZBLSOFNGDJVPQW-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)SC(C(=O)N1CCN(CC1)c1ccccc1F)C
Isomeric Smiles
C(=O)(N1CCN(c2c(F)cccc2)CC1)C(Sc1ccc(N)cc1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.0017128
LogD (pH = 7.4)
3.0289433
Log P
3.029302
Molar Refractivity
102.624
Polarizability
38.272434
Polar Surface Area
49.57
Rotatable Bonds
4
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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