Molecule

ID:18928

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₇FN₄OS
Molecular Mass
356.4171832
Exact Mass
356.1107104
Charge
0
InChI
InChI=1S/C18H17FN4OS/c1-2-3-11-23(17(24)14-5-4-6-15(19)12-14)18-22-21-16(25-18)13-7-9-20-10-8-13/h4-10,12H,2-3,11H2,1H3
InChIKey
QGTAWNDARKESDQ-UHFFFAOYSA-N
Canonic Smiles
CCCCN(C(=O)c1cccc(c1)F)c1nnc(s1)c1ccncc1
Isomeric Smiles
c1(sc(nn1)c1ccncc1)N(C(=O)c1cc(F)ccc1)CCCC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.6610382
LogD (pH = 7.4)
3.662177
Log P
3.6621916
Molar Refractivity
106.5466
Polarizability
36.29068
Polar Surface Area
58.98
Rotatable Bonds
6
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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