Molecule

ID:83245

General Information
Structure
Molecular Formula
C₁₆H₁₇Cl₂N₃OS
Molecular Mass
370.29668
Exact Mass
369.04693854
Charge
0
InChI
InChI=1S/C16H17Cl2N3OS/c1-10-6-8-21(9-7-10)16(22)19-13-14(23-20-15(13)18)11-4-2-3-5-12(11)17/h2-5,10H,6-9H2,1H3,(H,19,22)
InChIKey
YUBMZSPHZQHZTR-UHFFFAOYSA-N
Canonic Smiles
CC1CCN(CC1)C(=O)Nc1c(Cl)nsc1c1ccccc1Cl
Isomeric Smiles
s1c(c(NC(=O)N2CCC(CC2)C)c(n1)Cl)c1ccccc1Cl
Calculated Properties
JChem
Acid pKa
10.388777
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.5039535
LogD (pH = 7.4)
4.503536
Log P
4.5039597
Molar Refractivity
97.6139
Polarizability
37.430035
Polar Surface Area
45.23
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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