Molecule

ID:71195

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₇N₃O₂S₂
Molecular Mass
383.48718
Exact Mass
383.0762188
Charge
0
InChI
InChI=1S/C19H17N3O2S2/c23-26(24,22-17-9-5-2-6-10-17)18-13-11-16(12-14-18)21-19(25)20-15-7-3-1-4-8-15/h1-14,22H,(H2,20,21,25)
InChIKey
HNDRSTUKPCLQLT-UHFFFAOYSA-N
Canonic Smiles
S=C(Nc1ccccc1)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1
Isomeric Smiles
c1(ccc(cc1)NC(=S)Nc1ccccc1)S(=O)(=O)Nc1ccccc1
Calculated Properties
JChem
Acid pKa
7.680402
H Acceptors
2
H Donor
3
LogD (pH = 5.5)
4.493566
LogD (pH = 7.4)
4.309575
Log P
4.49619
Molar Refractivity
110.8759
Polarizability
42.326553
Polar Surface Area
70.23
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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