Molecule

ID:48248

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₅N₃O₂
Molecular Mass
339.4314
Exact Mass
339.19467706
Charge
0
InChI
InChI=1S/C20H25N3O2/c1-2-25-20(24)17-8-9-19(18(21)14-17)23-12-10-22(11-13-23)15-16-6-4-3-5-7-16/h3-9,14H,2,10-13,15,21H2,1H3
InChIKey
RITRCMIWRZBDID-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(c(c1)N)N1CCN(CC1)Cc1ccccc1
Isomeric Smiles
N1(c2c(cc(C(=O)OCC)cc2)N)CCN(Cc2ccccc2)CC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.8101529
LogD (pH = 7.4)
2.5609608
Log P
3.1842413
Molar Refractivity
102.6236
Polarizability
38.469524
Polar Surface Area
58.8
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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