الاسم: 3-[2-(4-nitrophenyl)ethyl]-1-propyl-8-[(3-pyridyl)methyl]xanthine
SMILES:
CCCn1c(=O)c2[nH]c(Cc3cccnc3)nc2n(CCc2ccc([N+](=O)[O-])cc2)c1=OMolecular Processing
Molecular formula
C22H22N6O4
Molecular weight
434.46
Exact mass
434.1703
XLogP
2.43
TPSA
128.71
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
32
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
118.75
Supplementary Information
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