Molecule

ID:128838

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₄N₂O₄
Molecular Mass
392.44766
Exact Mass
392.17360726
Charge
0
InChI
InChI=1S/C23H24N2O4/c1-4-28-23(26)20-13(2)24-18-7-8-19-17(21(18)20)12-25-10-9-14-11-15(27-3)5-6-16(14)22(25)29-19/h5-8,11,22,24H,4,9-10,12H2,1-3H3
InChIKey
VDDUJINYXKGZLV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC
Isomeric Smiles
O=C(OCC)c1c2c([nH]c1C)ccc1OC3c4ccc(OC)cc4CCN3Cc21
Calculated Properties
JChem
Acid pKa
12.60452
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
4.1722274
LogD (pH = 7.4)
4.176565
Log P
4.176623
Molar Refractivity
111.228
Polarizability
43.69795
Polar Surface Area
63.79
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
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
References
Bioactivity
Navigation