Molecule

ID:26409

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₁NO₂S
Molecular Mass
303.41914
Exact Mass
303.12929992
Charge
0
InChI
InChI=1S/C17H21NO2S/c1-5-20-16(19)14-13(10-21-15(14)18)11-6-8-12(9-7-11)17(2,3)4/h6-10H,5,18H2,1-4H3
InChIKey
CVICNZAIGJEBRL-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(N)scc1c1ccc(cc1)C(C)(C)C
Isomeric Smiles
c1(c(csc1N)c1ccc(C(C)(C)C)cc1)C(=O)OCC
Calculated Properties
JChem
Acid pKa
17.60002
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.2933245
LogD (pH = 7.4)
5.2933245
Log P
5.2933245
Molar Refractivity
87.6001
Polarizability
34.63033
Polar Surface Area
52.32
Rotatable Bonds
5
Lipinski's Rule of Five
false
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