Molecule

ID:54520

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₃N₃O₄
Molecular Mass
357.40362
Exact Mass
357.16885623
Charge
0
InChI
InChI=1S/C19H23N3O4/c1-19(2,3)26-18(24)22-10-13(14(11-22)17(23)25-4)12-8-16-15(21-9-12)6-5-7-20-16/h5-9,13-14H,10-11H2,1-4H3/t13-,14+/m0/s1
InChIKey
UOFSYRFWXPOPPR-UONOGXRCSA-N
Canonic Smiles
COC(=O)[C@@H]1CN(C[C@H]1c1cnc2c(c1)nccc2)C(=O)OC(C)(C)C
Isomeric Smiles
c1c(cc2c(n1)cccn2)[C@H]1[C@@H](CN(C1)C(=O)OC(C)(C)C)C(=O)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.8451946
LogD (pH = 7.4)
1.8452665
Log P
1.8452674
Molar Refractivity
94.0435
Polarizability
38.242264
Polar Surface Area
81.62
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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