Molecule

ID:83151

General Information
Structure
Molecular Formula
C₂₀H₂₃N₃O₄
Molecular Mass
369.41432
Exact Mass
369.16885623
Charge
0
InChI
InChI=1S/C20H23N3O4/c1-3-26-20(24)17-13(2)27-19(22)16(12-21)18(17)14-4-6-15(7-5-14)23-8-10-25-11-9-23/h4-7,18H,3,8-11,22H2,1-2H3
InChIKey
SJGQKMUIJVQXHO-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1=C(C)OC(=C(C1c1ccc(cc1)N1CCOCC1)C#N)N
Isomeric Smiles
O1C(=C(C(c2ccc(cc2)N2CCOCC2)C(=C1C)C(=O)OCC)C#N)N
Calculated Properties
JChem
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
1.8530258
LogD (pH = 7.4)
1.8532361
Log P
1.8532388
Molar Refractivity
112.7379
Polarizability
38.45901
Polar Surface Area
97.81
Rotatable Bonds
5
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