Molecule
ID:37830
General Information
Molecular Formula
C₁₆H₁₅FN₄O₄S
Molecular Mass
378.3781032
Exact Mass
378.0798042
Charge
0
InChI
InChI=1S/C16H15FN4O4S/c17-10-3-5-11(6-4-10)18-12(22)13-19-20-14(26-13)15(23)21-7-1-2-9(8-21)16(24)25/h3-6,9H,1-2,7-8H2,(H,18,22)(H,24,25)
InChIKey
WYXLMYBTYWBMMF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCCN(C1)C(=O)c1nnc(s1)C(=O)Nc1ccc(cc1)F
Isomeric Smiles
s1c(nnc1C(=O)Nc1ccc(cc1)F)C(=O)N1CC(CCC1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.2938929
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
-0.9238701
LogD (pH = 7.4)
-2.1780455
Log P
1.264979
Molar Refractivity
93.1932
Polarizability
33.53909
Polar Surface Area
112.49
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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