Nom: 1-benzyl-7-ethoxymethyl-3-methylxanthine
SMILES:
CCOCn1cnc2c1c(=O)n(Cc1ccccc1)c(=O)n2CMolecular Processing
Molecular formula
C16H18N4O3
Molecular weight
314.35
Exact mass
314.1379
XLogP
0.94
TPSA
71.05
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
86.4
Supplementary Information
Récupération des détails…
Impliqué dans 2 réactions→