名称: N-(3-{[6-(4-Fluoro-phenyl)-4-(1-trifluoromethyl-cyclopropylamino)-pyrido[3,2-d]pyrimidin-2-ylamino]-methyl}-5-trifluoromethyl-phenyl)-methanesulfonamide
SMILES:
CS(=O)(=O)Nc1cc(CNc2nc(NC3(C(F)(F)F)CC3)c3nc(-c4ccc(F)cc4)ccc3n2)cc(C(F)(F)F)c1Molecular Processing
Molecular formula
C26H21F7N6O2S
Molecular weight
614.55
Exact mass
614.1335
XLogP
6.34
TPSA
108.9
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
42
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
0.269
Molar refractivity
141.61
Supplementary Information
詳細情報を取得中…
1 件の反応に参加→