Molecule

ID:131069

General Information
Structure
Molecular Formula
C₂₄H₄₆N₂O₂
Molecular Mass
394.63424
Exact Mass
394.35592872
Charge
0
InChI
InChI=1S/C24H46N2O2/c1-17(2)13-25(14-18(3)4)23(27)21-11-9-10-12-22(21)24(28)26(15-19(5)6)16-20(7)8/h17-22H,9-16H2,1-8H3/t21-,22+
InChIKey
GPFAWYFTCKIPRA-SZPZYZBQSA-N
Canonic Smiles
CC(CN(C(=O)[C@@H]1CCCC[C@@H]1C(=O)N(CC(C)C)CC(C)C)CC(C)C)C
Isomeric Smiles
CC(C)CN(CC(C)C)C(=O)[C@@H]1CCCC[C@@H]1C(=O)N(CC(C)C)CC(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.3708878
LogD (pH = 7.4)
5.370932
Log P
5.3709326
Molar Refractivity
118.2938
Polarizability
46.62563
Polar Surface Area
40.62
Rotatable Bonds
10
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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