Molecule
ID:121525
General Information
Molecular Formula
C₁₉H₂₀N₄O₄
Molecular Mass
368.3865
Exact Mass
368.14845514
Charge
0
InChI
InChI=1S/C19H20N4O4/c1-11-18(12-3-5-13(26-2)6-4-12)19(23-22-11)15-8-7-14(9-16(15)24)27-10-17(25)21-20/h3-9,24H,10,20H2,1-2H3,(H,21,25)(H,22,23)
InChIKey
NQWSMBUJWXQVBD-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)COc1ccc(c(c1)O)c1n[nH]c(c1c1ccc(cc1)OC)C
Isomeric Smiles
c1(n[nH]c(c1c1ccc(cc1)OC)C)c1c(cc(OCC(=O)NN)cc1)O
Calculated Properties
JChem
Acid pKa
8.430818
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
1.9108704
LogD (pH = 7.4)
1.8745418
Log P
1.9129493
Molar Refractivity
102.0937
Polarizability
40.911453
Polar Surface Area
122.49
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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