Molecule

ID:72673

General Information
Structure
MolImage
Molecular Formula
C₂₄H₃₅Cl₂N₃O₄
Molecular Mass
500.4584
Exact Mass
499.20046198
Charge
0
InChI
InChI=1S/C24H33N3O4.2ClH/c1-18-7-6-8-19(2)24(18)25-23(29)16-27-13-11-26(12-14-27)15-20(28)17-31-22-10-5-4-9-21(22)30-3;;/h4-10,20,28H,11-17H2,1-3H3,(H,25,29);2*1H
InChIKey
RJNSNFZXAZXOFX-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1OCC(CN1CCN(CC1)CC(=O)Nc1c(C)cccc1C)O.Cl.Cl
Isomeric Smiles
c1c(c(c(cc1)C)NC(=O)CN1CCN(CC1)CC(O)COc1ccccc1OC)C.Cl.Cl
Calculated Properties
JChem
Acid pKa
13.600031
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
1.1640991
LogD (pH = 7.4)
2.633176
Log P
2.8324604
Molar Refractivity
123.4604
Polarizability
47.363354
Polar Surface Area
74.27
Rotatable Bonds
9
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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