Molecule

ID:26540

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄N₂OS
Molecular Mass
328.47166
Exact Mass
328.1609344
Charge
0
InChI
InChI=1S/C19H24N2OS/c1-19(2,3)12-9-10-14-15(11-12)23-17(20)16(14)18(22)21-13-7-5-4-6-8-13/h4-8,12H,9-11,20H2,1-3H3,(H,21,22)
InChIKey
VDWDLECHMZLDKJ-UHFFFAOYSA-N
Canonic Smiles
O=C(c1c(N)sc2c1CCC(C2)C(C)(C)C)Nc1ccccc1
Isomeric Smiles
c1(c(sc2c1CCC(C2)C(C)(C)C)N)C(=O)Nc1ccccc1
Calculated Properties
JChem
Acid pKa
11.843155
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
5.7359886
LogD (pH = 7.4)
5.7359753
Log P
5.73599
Molar Refractivity
98.1512
Polarizability
36.573658
Polar Surface Area
55.12
Rotatable Bonds
3
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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