Molecule

ID:73142

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₈ClN₃O
Molecular Mass
409.95162
Exact Mass
409.19209021
Charge
0
InChI
InChI=1S/C24H28ClN3O/c1-2-20-21-16-18(25)8-11-22(21)27-23(20)24(29)26-13-12-17-6-9-19(10-7-17)28-14-4-3-5-15-28/h6-11,16,27H,2-5,12-15H2,1H3,(H,26,29)
InChIKey
AHFZDNYNXFMRFQ-UHFFFAOYSA-N
Canonic Smiles
CCc1c([nH]c2c1cc(Cl)cc2)C(=O)NCCc1ccc(cc1)N1CCCCC1
Isomeric Smiles
c1(ccc2c(c1)c(c([nH]2)C(=O)NCCc1ccc(cc1)N1CCCCC1)CC)Cl
Calculated Properties
JChem
Acid pKa
13.328563
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
5.316665
LogD (pH = 7.4)
5.5949
Log P
5.5999045
Molar Refractivity
121.3823
Polarizability
46.747425
Polar Surface Area
48.13
Rotatable Bonds
6
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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