Molecule

ID:28271

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₁FN₄O₂S₂
Molecular Mass
384.4919432
Exact Mass
384.10899615
Charge
0
InChI
InChI=1S/C16H21FN4O2S2/c1-2-25(22,23)20-9-3-4-13(11-20)15-18-19-16(24)21(15)10-12-5-7-14(17)8-6-12/h5-8,13H,2-4,9-11H2,1H3,(H,19,24)
InChIKey
QIBMXCIRRPJFMR-UHFFFAOYSA-N
Canonic Smiles
CCS(=O)(=O)N1CCCC(C1)c1nnc(n1Cc1ccc(cc1)F)S
Isomeric Smiles
n1(c(nnc1S)C1CN(S(=O)(=O)CC)CCC1)Cc1ccc(F)cc1
Calculated Properties
JChem
Acid pKa
7.440918
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.7543474
LogD (pH = 7.4)
1.4926733
Log P
1.7591608
Molar Refractivity
99.1954
Polarizability
37.897152
Polar Surface Area
68.09
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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