Molecule

ID:132437

General Information
Structure
MolImage
Molecular Formula
C₃₄H₃₂N₂O₇
Molecular Mass
580.62708
Exact Mass
580.22095137
Charge
0
InChI
InChI=1S/C34H32N2O7/c1-41-23-15-11-21(12-16-23)32(22-13-17-24(42-2)18-14-22)36-31(37)19-30(33(38)39)35-34(40)43-20-29-27-9-5-3-7-25(27)26-8-4-6-10-28(26)29/h3-18,29-30,32H,19-20H2,1-2H3,(H,35,40)(H,36,37)(H,38,39)/t30-/m0/s1
InChIKey
NUINEVHFMAGARJ-PMERELPUSA-N
Canonic Smiles
COc1ccc(cc1)C(c1ccc(cc1)OC)NC(=O)C[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
COc1ccc(cc1)C(c1ccc(cc1)OC)NC(=O)C[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
Calculated Properties
JChem
Acid pKa
3.6014717
H Acceptors
6
H Donor
3
LogD (pH = 5.5)
3.1196706
LogD (pH = 7.4)
1.6710826
Log P
5.0136094
Molar Refractivity
159.1532
Polarizability
63.102955
Polar Surface Area
123.19
Rotatable Bonds
12
Lipinski's Rule of Five
false
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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