Molecule

ID:81759

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₉ClN₄O₂S
Molecular Mass
402.89776
Exact Mass
402.09172455
Charge
0
InChI
InChI=1S/C19H19ClN4O2S/c1-14-6-8-15(9-7-14)27(25,26)24-12-10-23(11-13-24)19-18(20)21-16-4-2-3-5-17(16)22-19/h2-9H,10-13H2,1H3
InChIKey
JYQBOZBTEBXTEP-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1nc2ccccc2nc1Cl
Isomeric Smiles
S(=O)(=O)(N1CCN(c2nc3ccccc3nc2Cl)CC1)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
4.022703
LogD (pH = 7.4)
4.0228004
Log P
4.022802
Molar Refractivity
107.1711
Polarizability
42.405235
Polar Surface Area
66.4
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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