Molecule

ID:73560

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₆N₂O₂
Molecular Mass
338.44334
Exact Mass
338.19942808
Charge
0
InChI
InChI=1S/C21H26N2O2/c1-21(2,3)25-20(24)23-15-14-22-18(16-10-6-4-7-11-16)19(23)17-12-8-5-9-13-17/h4-13,18-19,22H,14-15H2,1-3H3
InChIKey
AYXUZUABTMGOKA-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCNC(C1c1ccccc1)c1ccccc1)OC(C)(C)C
Isomeric Smiles
N1C(c2ccccc2)C(c2ccccc2)N(CC1)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.3532648
LogD (pH = 7.4)
3.8791656
Log P
4.1228666
Molar Refractivity
99.0095
Polarizability
39.20379
Polar Surface Area
41.57
Rotatable Bonds
4
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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