Nom: 7-(4-chlorophenyl)-2-methyl-8-(pyridin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6(2H,5H)-dione
SMILES:
Cn1nc2c(-c3ccncc3)c(-c3ccc(Cl)cc3)c(=O)[nH]n2c1=OMolecular Processing
Molecular formula
C17H12ClN5O2
Molecular weight
353.77
Exact mass
353.068
XLogP
2.1
TPSA
85.05
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
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
0.059
Molar refractivity
94.73
Supplementary Information
Récupération des détails…
Impliqué dans 3 réactions→