Molecule

ID:26737

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₂Cl₂N₂OS
Molecular Mass
397.36178
Exact Mass
396.08298969
Charge
0
InChI
InChI=1S/C19H22Cl2N2OS/c1-19(2,3)10-4-6-12-15(8-10)25-17(22)16(12)18(24)23-14-7-5-11(20)9-13(14)21/h5,7,9-10H,4,6,8,22H2,1-3H3,(H,23,24)
InChIKey
QDVVAQXXBAOJQL-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)NC(=O)c1c(N)sc2c1CCC(C2)C(C)(C)C
Isomeric Smiles
c1(c(sc2c1CCC(C2)C(C)(C)C)N)C(=O)Nc1c(cc(cc1)Cl)Cl
Calculated Properties
JChem
Acid pKa
10.127929
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
6.9440684
LogD (pH = 7.4)
6.9433084
Log P
6.9440794
Molar Refractivity
107.7608
Polarizability
40.35545
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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