Molecule

ID:128466

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₂N₂O₃S
Molecular Mass
358.45458
Exact Mass
358.13511357
Charge
0
InChI
InChI=1S/C19H22N2O3S/c1-20(2)12-11-15-14-21(19-10-9-16(24-3)13-18(15)19)25(22,23)17-7-5-4-6-8-17/h4-10,13-14H,11-12H2,1-3H3
InChIKey
AIJIQCBYMBZLJD-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)c(CCN(C)C)cn2S(=O)(=O)c1ccccc1
Isomeric Smiles
COc1cc2c(CCN(C)C)cn(c2cc1)S(=O)(=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.18915094
LogD (pH = 7.4)
1.336464
Log P
3.0737686
Molar Refractivity
99.9257
Polarizability
40.587566
Polar Surface Area
51.54
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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