Molecule
ID:40470
General Information
Molecular Formula
C₁₉H₁₇BrN₂OS₂
Molecular Mass
433.38508
Exact Mass
431.99656717
Charge
0
InChI
InChI=1S/C19H17BrN2OS2/c1-13-3-7-15(8-4-13)24-12-18-17(11-23)19(22(2)21-18)25-16-9-5-14(20)6-10-16/h3-11H,12H2,1-2H3
InChIKey
IYRQYBHYPDIBIZ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(CSc2ccc(cc2)C)nn(c1Sc1ccc(cc1)Br)C
Isomeric Smiles
c1(c(c(nn1C)CSc1ccc(cc1)C)C=O)Sc1ccc(Br)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.796647
LogD (pH = 7.4)
5.796651
Log P
5.796651
Molar Refractivity
123.1437
Polarizability
42.376133
Polar Surface Area
34.89
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...