名称: N-(3-Chloro-5-{[6-(4-fluoro-phenyl)-4-(1-trifluoromethyl-cyclopropylamino)-pyrido[3,2-d]pyrimidin-2-ylamino]-methyl}-phenyl)-methanesulfonamide
SMILES:
CS(=O)(=O)Nc1cc(Cl)cc(CNc2nc(NC3(C(F)(F)F)CC3)c3nc(-c4ccc(F)cc4)ccc3n2)c1Molecular Processing
Molecular formula
C25H21ClF4N6O2S
Molecular weight
581
Exact mass
580.1071
XLogP
5.97
TPSA
108.9
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
39
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.24
Molar refractivity
141.61
Supplementary Information
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