Molecule

ID:22394

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₀N₂O₄S
Molecular Mass
372.4381
Exact Mass
372.11437813
Charge
0
InChI
InChI=1S/C19H20N2O4S/c1-19(2,3)25-18(22)20-17-13-14-9-7-8-12-16(14)21(17)26(23,24)15-10-5-4-6-11-15/h4-13H,1-3H3,(H,20,22)
InChIKey
RHDRYBOXMHGNAR-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)Nc1cc2c(n1S(=O)(=O)c1ccccc1)cccc2
Isomeric Smiles
n1(c(cc2ccccc12)NC(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
13.729731
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
4.001634
LogD (pH = 7.4)
4.0016336
Log P
4.001634
Molar Refractivity
99.7103
Polarizability
40.344707
Polar Surface Area
77.4
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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