Molecule

ID:26546

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₃ClN₂OS
Molecular Mass
362.91672
Exact Mass
362.12196205
Charge
0
InChI
InChI=1S/C19H23ClN2OS/c1-19(2,3)11-4-9-14-15(10-11)24-17(21)16(14)18(23)22-13-7-5-12(20)6-8-13/h5-8,11H,4,9-10,21H2,1-3H3,(H,22,23)
InChIKey
XOSXEQXGZGALIS-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)NC(=O)c1c(N)sc2c1CCC(C2)C(C)(C)C
Isomeric Smiles
c1(c(sc2c1CCC(C2)C(C)(C)C)N)C(=O)Nc1ccc(Cl)cc1
Calculated Properties
JChem
Acid pKa
11.420329
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
6.340033
LogD (pH = 7.4)
6.3399954
Log P
6.340035
Molar Refractivity
102.956
Polarizability
38.442245
Polar Surface Area
55.12
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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