名称: 5-cyano-4-(1-tosyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl diethyl phosphate
SMILES:
CCOP(=O)(OCC)Oc1ncc(C#N)c(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ncc(C(F)(F)F)cc23)n1Molecular Processing
Molecular formula
C24H21F3N5O6PS
Molecular weight
595.5
Exact mass
595.0902
XLogP
5.49
TPSA
146.29
H-bond donors
0
H-bond acceptors
10
Rotatable bonds
9
Heavy atoms
40
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
135.73
Supplementary Information
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