Molecule

ID:45241

General Information
Structure
MolImage
Molecular Formula
C₂₅H₃₄N₂O₃
Molecular Mass
410.54906
Exact Mass
410.25694296
Charge
0
InChI
InChI=1S/C25H34N2O3/c1-24(2,3)30-23(28)27-16-14-25(29,15-17-27)20-26(18-21-10-6-4-7-11-21)19-22-12-8-5-9-13-22/h4-13,29H,14-20H2,1-3H3
InChIKey
VWOFIJPCVHSJEH-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(CC1)(O)CN(Cc1ccccc1)Cc1ccccc1)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CCC(CC1)(CN(Cc1ccccc1)Cc1ccccc1)O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
14.326868
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.6201932
LogD (pH = 7.4)
2.232478
Log P
3.7997336
Molar Refractivity
120.5467
Polarizability
47.184414
Polar Surface Area
53.01
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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