Name: title compound
SMILES:
Cc1cccc(Cl)c1Nc1nc2cc(C(=O)Nc3c(F)cc(F)cc3F)c3c(c2[nH]1)CC(C)(C)O3Molecular Processing
Molecular formula
C25H20ClF3N4O2
Molecular weight
500.91
Exact mass
500.1227
XLogP
6.65
TPSA
79.04
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
35
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
128.25
Supplementary Information
Details werden geladen…
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