الاسم: 3-{5-[4-(4-bromo-2-fluorophenylamino)-1,5-dimethyl-6-oxo-1,6-dihydro-pyridin-3-yl]-tetrazol-1-yl}-propionitrile
SMILES:
Cc1c(Nc2ccc(Br)cc2F)c(-c2nnnn2CCC#N)cn(C)c1=OMolecular Processing
Molecular formula
C17H15BrFN7O
Molecular weight
432.26
Exact mass
431.0505
XLogP
2.91
TPSA
101.42
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
100.84
Supplementary Information
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