Name: 6-chloro-N-(4-(chlorodifluoromethoxy)phenyl)-5-(4-fluoro-1H-pyrazol-5-yl)nicotinamide
SMILES:
O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(Cl)c(-c2[nH]ncc2F)c1Molecular Processing
Molecular formula
C16H9Cl2F3N4O2
Molecular weight
417.17
Exact mass
416.0055
XLogP
4.68
TPSA
79.9
H-bond donors
2
H-bond acceptors
4
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
11
Covalent units
1
Fraction Csp3
0.062
Molar refractivity
92.61
Supplementary Information
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