C1=CC2=C(C=C1C(=O)O)NC(=N2)C3=CC(=NNC3=O)C4=CC=NC=C4
Nom: 2-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)-3H-benzimidazole-5-carboxylic acid
SMILES: C1=CC2=C(C=C1C(=O)O)NC(=N2)C3=CC(=NNC3=O)C4=CC=NC=C4

Molecular Processing

Molecular formula
C17H11N5O3
Molecular weight
333.31
Exact mass
333.0862
XLogP
2.07
TPSA
124.62
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
25
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0
Molar refractivity
90.14

Supplementary Information

InChIKey: XJFOCUXWYQNKHW-UHFFFAOYSA-N
Synonymes
SCHEMBL2941275SCHEMBL2950072XJFOCUXWYQNKHW-UHFFFAOYSA-N2-(3-Oxo-6-pyridin-4-yl-2,3-dihydropyridazin-4-yl)-1H-benzimidazole-5-carboxylic acid2-(3-oxo-6-pyridin-4-yl-2,3-dihydropyridazin-4-yl)-1H-benzoimidazole-5-carboxylic acid2-(3-oxo-6-pyridin-4-yl-2,3-dihydropyridazin-4-yl)-3H-benzoimidazole-5-carboxylic acid
Voir la source →
Impliqué dans 5 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→