Molecule

ID:65361

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₄N₂OS
Molecular Mass
340.48236
Exact Mass
340.1609344
Charge
0
InChI
InChI=1S/C20H24N2OS/c1-20(2,3)24(23)21-18-14-22(15-18)19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,19H,14-15H2,1-3H3
InChIKey
QUHHZMADJVANJL-UHFFFAOYSA-N
Canonic Smiles
CC(S(=O)/N=C/1\CN(C1)C(c1ccccc1)c1ccccc1)(C)C
Isomeric Smiles
C1/C(=N\S(=O)C(C)(C)C)/CN1C(c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.8886466
LogD (pH = 7.4)
4.895314
Log P
4.8954
Molar Refractivity
99.7182
Polarizability
39.818024
Polar Surface Area
32.67
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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