Molecule

ID:128427

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₅N₃O₄
Molecular Mass
347.4088
Exact Mass
347.1845063
Charge
0
InChI
InChI=1S/C18H25N3O4/c1-24-16-4-2-15(3-5-16)18(23)21-8-6-19(7-9-21)14-17(22)20-10-12-25-13-11-20/h2-5H,6-14H2,1H3
InChIKey
PSWBKVWMVVCATC-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(=O)N1CCN(CC1)CC(=O)N1CCOCC1
Isomeric Smiles
COc1ccc(cc1)C(=O)N1CCN(CC1)CC(=O)N1CCOCC1
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
-0.4777316
LogD (pH = 7.4)
-0.14582358
Log P
-0.13942108
Molar Refractivity
94.2178
Polarizability
36.097893
Polar Surface Area
62.32
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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