الاسم: 8-(4-fluorobenzyl)-3-[2-(4-nitrophenyl)ethyl]-1-propylxanthine
SMILES:
CCCn1c(=O)c2[nH]c(Cc3ccc(F)cc3)nc2n(CCc2ccc([N+](=O)[O-])cc2)c1=OMolecular Processing
Molecular formula
C23H22FN5O4
Molecular weight
451.46
Exact mass
451.1656
XLogP
3.18
TPSA
115.82
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
33
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
0.261
Molar refractivity
120.91
Supplementary Information
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