Molecule

ID:65757

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀ClN₃O₄
Molecular Mass
329.7793
Exact Mass
329.11423382
Charge
0
InChI
InChI=1S/C14H20ClN3O4/c1-13(2,3)21-11(19)18(12(20)22-14(4,5)6)10-7-9(15)16-8-17-10/h7-8H,1-6H3
InChIKey
LTXDXOMHOOIKAB-UHFFFAOYSA-N
Canonic Smiles
O=C(N(c1ncnc(c1)Cl)C(=O)OC(C)(C)C)OC(C)(C)C
Isomeric Smiles
c1(cc(ncn1)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)
3.6816251
LogD (pH = 7.4)
3.6816251
Log P
3.6816251
Molar Refractivity
82.4084
Polarizability
31.675314
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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