COC1=C(C=CC(=C1)OCC2=CC=CC=C2)C3=NC4=NC(=NC=C4N3)Cl
Nom: 2-chloro-8-(2-methoxy-4-phenylmethoxyphenyl)-7H-purine
SMILES: COC1=C(C=CC(=C1)OCC2=CC=CC=C2)C3=NC4=NC(=NC=C4N3)Cl

Molecular Processing

Molecular formula
C19H15ClN4O2
Molecular weight
366.81
Exact mass
366.0884
XLogP
4.26
TPSA
72.92
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
26
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.105
Molar refractivity
99.46

Supplementary Information

InChIKey: TVMHAGCGZQVRTL-UHFFFAOYSA-N
Synonymes
SCHEMBL10686088SCHEMBL10686094TVMHAGCGZQVRTL-UHFFFAOYSA-N8-(2-Methoxy-4-benzyloxy-phenyl)-2-chloro-purine
Voir la source →
Impliqué dans 2 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→