Molecule

ID:82828

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀Cl₂N₂O₄S
Molecular Mass
407.312
Exact Mass
406.05208349
Charge
0
InChI
InChI=1S/C16H20Cl2N2O4S/c1-3-23-15(21)19-9-13(18)14(10-20(19)16(22)24-4-2)25-12-7-5-11(17)6-8-12/h5-8,13-14H,3-4,9-10H2,1-2H3/t13-,14?/m0/s1
InChIKey
LJASJZAFDBYIAN-LSLKUGRBSA-N
Canonic Smiles
CCOC(=O)N1CC(Sc2ccc(cc2)Cl)[C@H](CN1C(=O)OCC)Cl
Isomeric Smiles
N1(N(C[C@@H](C(C1)Sc1ccc(cc1)Cl)Cl)C(=O)OCC)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.026434
LogD (pH = 7.4)
4.026434
Log P
4.026434
Molar Refractivity
98.4676
Polarizability
38.696205
Polar Surface Area
59.08
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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