Molecule

ID:26617

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄N₂OS
Molecular Mass
328.47166
Exact Mass
328.1609344
Charge
0
InChI
InChI=1S/C19H24N2OS/c1-3-13-8-9-15-16(10-13)23-18(20)17(15)19(22)21-11-14-6-4-12(2)5-7-14/h4-7,13H,3,8-11,20H2,1-2H3,(H,21,22)
InChIKey
QBNAEWMEEBSABJ-UHFFFAOYSA-N
Canonic Smiles
CCC1CCc2c(C1)sc(c2C(=O)NCc1ccc(cc1)C)N
Isomeric Smiles
c1(c(sc2c1CCC(C2)CC)N)C(=O)NCc1ccc(cc1)C
Calculated Properties
JChem
Acid pKa
15.821511
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
5.3692484
LogD (pH = 7.4)
5.36925
Log P
5.36925
Molar Refractivity
97.2229
Polarizability
36.30738
Polar Surface Area
55.12
Rotatable Bonds
4
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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