Molecule

ID:88993

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆N₂O₄S
Molecular Mass
354.46434
Exact Mass
354.16132832
Charge
0
InChI
InChI=1S/C17H26N2O4S/c1-6-22-15(20)13-11(2)18-14(24-13)12-7-9-19(10-8-12)16(21)23-17(3,4)5/h12H,6-10H2,1-5H3
InChIKey
YTFTXLAXZXXHPI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1sc(nc1C)C1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)CCC(c2nc(c(s2)C(=O)OCC)C)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.765967
LogD (pH = 7.4)
2.7659688
Log P
2.7659688
Molar Refractivity
92.2833
Polarizability
35.8118
Polar Surface Area
68.73
Rotatable Bonds
6
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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