Molecule

ID:26532

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂OS
Molecular Mass
274.38122
Exact Mass
274.11398421
Charge
0
InChI
InChI=1S/C15H18N2OS/c1-15(2,3)10-6-4-9(5-7-10)11-8-19-14(17)12(11)13(16)18/h4-8H,17H2,1-3H3,(H2,16,18)
InChIKey
ZMPBJLLTFXHYEU-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1c(N)scc1c1ccc(cc1)C(C)(C)C
Isomeric Smiles
c1(c(csc1N)c1ccc(C(C)(C)C)cc1)C(=O)N
Calculated Properties
JChem
Acid pKa
15.523663
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.7836797
LogD (pH = 7.4)
3.7836797
Log P
3.7836797
Molar Refractivity
79.9046
Polarizability
31.192276
Polar Surface Area
69.11
Rotatable Bonds
3
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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