Molecule
ID:37797
General Information
Molecular Formula
C₂₄H₂₅N₃O₃
Molecular Mass
403.4736
Exact Mass
403.18959168
Charge
0
InChI
InChI=1S/C24H25N3O3/c1-17(24(29)30)18-12-14-26(15-13-18)23(28)21-16-27(20-10-6-3-7-11-20)25-22(21)19-8-4-2-5-9-19/h2-11,16-18H,12-15H2,1H3,(H,29,30)
InChIKey
LAFPOPYNMDECEJ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(C1CCN(CC1)C(=O)c1cn(nc1c1ccccc1)c1ccccc1)C
Isomeric Smiles
n1n(cc(c1c1ccccc1)C(=O)N1CCC(CC1)C(C(=O)O)C)c1ccccc1
Calculated Properties
JChem
Acid pKa
4.177968
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.855055
LogD (pH = 7.4)
1.1463588
Log P
4.194831
Molar Refractivity
115.5872
Polarizability
45.7166
Polar Surface Area
75.43
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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