Molecule

ID:27683

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂O₂S₂
Molecular Mass
310.43492
Exact Mass
310.08096983
Charge
0
InChI
InChI=1S/C14H18N2O2S2/c1-11-7-12(2)9-16(8-11)20(17,18)14-5-3-13(4-6-14)15-10-19/h3-6,11-12H,7-9H2,1-2H3
InChIKey
QICQGBDHPDLART-UHFFFAOYSA-N
Canonic Smiles
CC1CC(C)CN(C1)S(=O)(=O)c1ccc(cc1)N=C=S
Isomeric Smiles
S(=O)(=O)(N1CC(CC(C1)C)C)c1ccc(N=C=S)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.6287653
LogD (pH = 7.4)
3.6287658
Log P
3.6287658
Molar Refractivity
86.1574
Polarizability
33.45486
Polar Surface Area
49.74
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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