الاسم: 7-bromo-2-(methoxymethyl)-8-(pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
SMILES:
COCn1nc2c(-c3ccncc3)c(Br)ccn2c1=OMolecular Processing
Molecular formula
C13H11BrN4O2
Molecular weight
335.16
Exact mass
334.0065
XLogP
1.92
TPSA
61.42
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
20
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
0.154
Molar refractivity
77.39
Supplementary Information
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