الاسم: 4-{[6-Chloro-4-(1-trifluoromethyl-cyclopropylamino)-pyrido[3,2-d]pyrimidin-2-ylamino]-methyl}benzenesulfonamide
SMILES:
NS(=O)(=O)c1ccc(CNc2nc(NC3(C(F)(F)F)CC3)c3nc(Cl)ccc3n2)cc1Molecular Processing
Molecular formula
C18H16ClF3N6O2S
Molecular weight
472.88
Exact mass
472.0696
XLogP
3.44
TPSA
122.89
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
109.13
Supplementary Information
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