Molecule
ID:122122
General Information
Molecular Formula
C₂₀H₂₃N₃O₃
Molecular Mass
353.41492
Exact Mass
353.17394161
Charge
0
InChI
InChI=1S/C20H23N3O3/c1-2-26-20(25)16-8-9-18(17(21)14-16)22-10-12-23(13-11-22)19(24)15-6-4-3-5-7-15/h3-9,14H,2,10-13,21H2,1H3
InChIKey
DWYUGKVSQAOHLV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(c(c1)N)N1CCN(CC1)C(=O)c1ccccc1
Isomeric Smiles
C(=O)(N1CCN(c2c(cc(C(=O)OCC)cc2)N)CC1)c1ccccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.5403903
LogD (pH = 7.4)
2.5408313
Log P
2.540837
Molar Refractivity
102.9527
Polarizability
37.93624
Polar Surface Area
75.87
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
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
Loading...
Bioactivity
Loading...