Molecule

ID:41506

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₈N₂O₄
Molecular Mass
348.43662
Exact Mass
348.20490739
Charge
0
InChI
InChI=1S/C19H28N2O4/c1-19(2,3)25-18(23)20-15-10-12-21(13-11-15)16(17(22)24-4)14-8-6-5-7-9-14/h5-9,15-16H,10-13H2,1-4H3,(H,20,23)
InChIKey
ZBZCXRUKPZPMDU-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(c1ccccc1)N1CCC(CC1)NC(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(NC1CCN(C(C(=O)OC)c2ccccc2)CC1)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
14.992748
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.6058803
LogD (pH = 7.4)
2.421841
Log P
2.4537513
Molar Refractivity
95.4545
Polarizability
37.734562
Polar Surface Area
67.87
Rotatable Bonds
7
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