Molecule

ID:61927

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₅N₃O₄
Molecular Mass
335.3981
Exact Mass
335.1845063
Charge
0
InChI
InChI=1S/C17H25N3O4/c1-5-23-15(21)13-7-6-8-14(18-13)19-9-11-20(12-10-19)16(22)24-17(2,3)4/h6-8H,5,9-12H2,1-4H3
InChIKey
AZNAPGCOZCKSHN-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cccc(n1)N1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CCN(c2nc(C(=O)OCC)ccc2)CC1)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.7472327
LogD (pH = 7.4)
2.751421
Log P
2.7514746
Molar Refractivity
90.7956
Polarizability
34.629063
Polar Surface Area
71.97
Rotatable Bonds
6
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