Molecule

ID:92897

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄N₂O₄S
Molecular Mass
340.43776
Exact Mass
340.14567826
Charge
0
InChI
InChI=1S/C16H24N2O4S/c1-5-21-14(19)12-10-23-13(17-12)11-6-8-18(9-7-11)15(20)22-16(2,3)4/h10-11H,5-9H2,1-4H3
InChIKey
LBRUPXMVELEXIV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1csc(n1)C1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
s1cc(nc1C1CCN(CC1)C(=O)OC(C)(C)C)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.688009
LogD (pH = 7.4)
2.6880095
Log P
2.6880095
Molar Refractivity
87.5357
Polarizability
34.05919
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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation