Nombre: 2-Chloro-4-{1-[6-(4-fluoro-phenyl)-4-(1-trifluoromethyl-cyclopropylamino)-pyrido[3,2-d]pyrimidin-2-ylamino]-ethyl}-benzenesulfonamide
SMILES:
CC(Nc1nc(NC2(C(F)(F)F)CC2)c2nc(-c3ccc(F)cc3)ccc2n1)c1ccc(S(N)(=O)=O)c(Cl)c1Molecular Processing
Molecular formula
C25H21ClF4N6O2S
Molecular weight
581
Exact mass
580.1071
XLogP
5.81
TPSA
122.89
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
39
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.24
Molar refractivity
139.23
Supplementary Information
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