Molecule

ID:130611

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₈N₂O₄
Molecular Mass
408.49012
Exact Mass
408.20490739
Charge
0
InChI
InChI=1S/C24H28N2O4/c1-24(2,3)30-23(28)26-13-12-16(14-26)25-22(27)29-15-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,16,21H,12-15H2,1-3H3,(H,25,27)/t16-/m1/s1
InChIKey
WTCWZRXHMNBOCY-MRXNPFEDSA-N
Canonic Smiles
O=C(N[C@@H]1CCN(C1)C(=O)OC(C)(C)C)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
CC(C)(C)OC(=O)N1CC[C@H](C1)NC(=O)OCC1c2ccccc2c2c1cccc2
Calculated Properties
JChem
Acid pKa
14.665803
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.865561
LogD (pH = 7.4)
3.865561
Log P
3.865561
Molar Refractivity
114.2847
Polarizability
45.708004
Polar Surface Area
67.87
Rotatable Bonds
6
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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