Molecule

ID:70612

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₄N₂O₅
Molecular Mass
420.45776
Exact Mass
420.16852188
Charge
0
InChI
InChI=1S/C24H24N2O5/c1-16-8-10-17(11-9-16)24(29)19-13-12-18(26(19)2)14-22(27)25-15-23(28)31-21-7-5-4-6-20(21)30-3/h4-13H,14-15H2,1-3H3,(H,25,27)
InChIKey
CWJNMKKMGIAGDK-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1OC(=O)CNC(=O)Cc1ccc(n1C)C(=O)c1ccc(cc1)C
Isomeric Smiles
C(=O)(CNC(=O)Cc1n(c(cc1)C(=O)c1ccc(cc1)C)C)Oc1c(cccc1)OC
Calculated Properties
JChem
Acid pKa
12.1163025
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.2682288
LogD (pH = 7.4)
3.2682216
Log P
3.268229
Molar Refractivity
116.2062
Polarizability
44.650116
Polar Surface Area
86.63
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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