Molecule

ID:65759

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂ClN₃O₄
Molecular Mass
343.80588
Exact Mass
343.12988388
Charge
0
InChI
InChI=1S/C15H22ClN3O4/c1-9-17-10(16)8-11(18-9)19(12(20)22-14(2,3)4)13(21)23-15(5,6)7/h8H,1-7H3
InChIKey
LMNHTSKUHWUCEH-UHFFFAOYSA-N
Canonic Smiles
O=C(N(c1cc(Cl)nc(n1)C)C(=O)OC(C)(C)C)OC(C)(C)C
Isomeric Smiles
c1(cc(nc(n1)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
4.028026
LogD (pH = 7.4)
4.0280266
Log P
4.0280266
Molar Refractivity
87.0328
Polarizability
33.42777
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
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Molecule Details
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References
Bioactivity
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