Molecule

ID:129579

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₁N₃O₂
Molecular Mass
369.50044
Exact Mass
369.24162725
Charge
0
InChI
InChI=1S/C22H31N3O2/c1-5-25(15-16-26-19(4)27-17-18(2)3)22-13-11-21(12-14-22)24-23-20-9-7-6-8-10-20/h6-14,18-19H,5,15-17H2,1-4H3
InChIKey
BATVZJPOLFSGTD-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc(cc1)/N=N/c1ccccc1)CCOC(OCC(C)C)C
Isomeric Smiles
N(=N\c1ccc(N(CCOC(OCC(C)C)C)CC)cc1)/c1ccccc1
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
6.3336205
LogD (pH = 7.4)
6.333973
Log P
6.333977
Molar Refractivity
115.0372
Polarizability
42.507603
Polar Surface Area
46.42
Rotatable Bonds
11
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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