Molecule

ID:128816

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₅N₃O₂
Molecular Mass
387.4742
Exact Mass
387.19467706
Charge
0
InChI
InChI=1S/C24H25N3O2/c28-23(20-7-2-1-3-8-20)26-24(29)25-22-12-14-27(15-13-22)17-18-10-11-19-6-4-5-9-21(19)16-18/h1-11,16,22H,12-15,17H2,(H2,25,26,28,29)
InChIKey
AQFFJGJVFJCQQL-UHFFFAOYSA-N
Canonic Smiles
O=C(NC(=O)c1ccccc1)NC1CCN(CC1)Cc1ccc2c(c1)cccc2
Isomeric Smiles
O=C(c1ccccc1)NC(=O)NC1CCN(Cc2ccc3c(c2)cccc3)CC1
Calculated Properties
JChem
Acid pKa
10.675648
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.4258402
LogD (pH = 7.4)
2.1342006
Log P
3.3397138
Molar Refractivity
114.7896
Polarizability
45.184326
Polar Surface Area
61.44
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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