Molecule

ID:65758

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₄O₄
Molecular Mass
310.34888
Exact Mass
310.1641052
Charge
0
InChI
InChI=1S/C14H22N4O4/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,(H2,15,16,17)
InChIKey
ZPJZIZPTJRFVIG-UHFFFAOYSA-N
Canonic Smiles
O=C(N(c1ncnc(c1)N)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)N
Calculated Properties
JChem
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
2.622854
LogD (pH = 7.4)
2.6229339
Log P
2.6229348
Molar Refractivity
81.5562
Polarizability
30.832893
Polar Surface Area
107.64
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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