名称: 4-{[6-(4-Fluoro-phenyl)-4-(1-trifluoromethyl-cyclopropylamino)-pyrido[3,2-d]pyrimidin-2-ylamino]-methyl}-2-trifluoromethyl-benzenesulfonamide
SMILES:
NS(=O)(=O)c1ccc(CNc2nc(NC3(C(F)(F)F)CC3)c3nc(-c4ccc(F)cc4)ccc3n2)cc1C(F)(F)FMolecular Processing
Molecular formula
C25H19F7N6O2S
Molecular weight
600.52
Exact mass
600.1178
XLogP
5.62
TPSA
122.89
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
41
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.24
Molar refractivity
134.51
Supplementary Information
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