Molecule

ID:26619

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₀N₂OS
Molecular Mass
370.5514
Exact Mass
370.20788459
Charge
0
InChI
InChI=1S/C22H30N2OS/c1-5-22(3,4)16-10-11-17-18(12-16)26-20(23)19(17)21(25)24-13-15-8-6-14(2)7-9-15/h6-9,16H,5,10-13,23H2,1-4H3,(H,24,25)
InChIKey
UPUIMRSQSHXYJT-UHFFFAOYSA-N
Canonic Smiles
CCC(C1CCc2c(C1)sc(c2C(=O)NCc1ccc(cc1)C)N)(C)C
Isomeric Smiles
c1(c(sc2c1CCC(C2)C(CC)(C)C)N)C(=O)NCc1ccc(cc1)C
Calculated Properties
JChem
Acid pKa
15.8203945
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
6.400883
LogD (pH = 7.4)
6.400885
Log P
6.400885
Molar Refractivity
110.8476
Polarizability
41.83389
Polar Surface Area
55.12
Rotatable Bonds
5
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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