Molecule

ID:26760

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄N₂O₃S
Molecular Mass
360.47046
Exact Mass
360.15076364
Charge
0
InChI
InChI=1S/C19H24N2O3S/c1-23-12-9-10-15(24-2)14(11-12)21-19(22)17-13-7-5-3-4-6-8-16(13)25-18(17)20/h9-11H,3-8,20H2,1-2H3,(H,21,22)
InChIKey
RPJPOXDHSOFGDV-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)NC(=O)c1c(N)sc2c1CCCCCC2)OC
Isomeric Smiles
c1(c(sc2c1CCCCCC2)N)C(=O)Nc1cc(ccc1OC)OC
Calculated Properties
JChem
Acid pKa
10.53504
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
4.991122
LogD (pH = 7.4)
4.9908285
Log P
4.991131
Molar Refractivity
102.1063
Polarizability
37.945114
Polar Surface Area
73.58
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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