Molecule

ID:76718

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂O₄S₂
Molecular Mass
340.41784
Exact Mass
340.055149
Charge
0
InChI
InChI=1S/C14H16N2O4S2/c1-4-20-13(17)11-12(15)16(14(21)22-11)9-7-8(18-2)5-6-10(9)19-3/h5-7H,4,15H2,1-3H3
InChIKey
RSSXEJBXRZYZMO-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1sc(=S)n(c1N)c1cc(OC)ccc1OC
Isomeric Smiles
n1(c2c(ccc(c2)OC)OC)c(c(C(=O)OCC)sc1=S)N
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
2.7613354
LogD (pH = 7.4)
2.7613385
Log P
2.7613385
Molar Refractivity
100.1887
Polarizability
35.045994
Polar Surface Area
74.02
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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