Nombre: 8-(2-methoxy-4-aminocarbonylphenyl)-1H,3H-purin-2,6-dione
SMILES:
COc1cc(C(N)=O)ccc1-c1nc2[nH]c(=O)[nH]c(=O)c2[nH]1Molecular Processing
Molecular formula
C13H11N5O4
Molecular weight
301.26
Exact mass
301.0811
XLogP
-0.29
TPSA
146.72
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
77.84
Supplementary Information
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