Molecule

ID:86396

General Information
Structure
Molecular Formula
C₁₉H₂₂ClN₃O₄
Molecular Mass
391.84868
Exact Mass
391.12988388
Charge
0
InChI
InChI=1S/C19H22ClN3O4/c1-4-26-19(25)14-5-7-15(8-6-14)23-18(24)17(20)16(9-21-23)22-10-12(2)27-13(3)11-22/h5-9,12-13H,4,10-11H2,1-3H3
InChIKey
IIUBTURNEUNFCD-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(cc1)n1ncc(c(c1=O)Cl)N1CC(C)OC(C1)C
Isomeric Smiles
n1(c2ccc(cc2)C(=O)OCC)c(=O)c(c(N2CC(C)OC(C2)C)cn1)Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.8959997
LogD (pH = 7.4)
2.896005
Log P
2.896005
Molar Refractivity
103.8067
Polarizability
38.96598
Polar Surface Area
71.44
Rotatable Bonds
5
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
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References
Bioactivity
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