Molecule

ID:6407

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₈N₂O₃
Molecular Mass
380.48002
Exact Mass
380.20999277
Charge
0
InChI
InChI=1S/C23H28N2O3/c1-16-13-19-20(25-16)11-8-12-21(19)27-15-18(14-24-23(2,3)4)28-22(26)17-9-6-5-7-10-17/h5-13,18,24-25H,14-15H2,1-4H3
InChIKey
UUOJIACWOAYWEZ-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)OC(COc1cccc2c1cc([nH]2)C)CNC(C)(C)C
Isomeric Smiles
O(C(CNC(C)(C)C)COc1c2c([nH]c(c2)C)ccc1)C(=O)c1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
2.79
LogD (pH = 5.5)
1.53
Log P
4.67
Rotatable Bonds
9
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
9.29
Polar Surface Area
63.35
Polarizability
43.11
Molar Refractivity
111.07
LOG S
-5.31
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
References
Bioactivity
Navigation