Molecule

ID:68252

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃N₃O₄S
Molecular Mass
341.42582
Exact Mass
341.14092723
Charge
0
InChI
InChI=1S/C15H23N3O4S/c1-5-21-12(19)11-10-23-13(16-11)17-6-8-18(9-7-17)14(20)22-15(2,3)4/h10H,5-9H2,1-4H3
InChIKey
VJUXJZFRSYXDIL-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1csc(n1)N1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
s1c(nc(c1)C(=O)OCC)N1CCN(CC1)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.7177296
LogD (pH = 7.4)
2.7177324
Log P
2.7177324
Molar Refractivity
87.3207
Polarizability
33.387215
Polar Surface Area
71.97
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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