名称: 4-(5-(5-chloro-1-(4-methoxybenzyl)-2-oxo-1,2-dihydropyridin-3-yl)-2-(2-(dimethylamino)-4-methoxypyrimidin-5-yl)-3-isopropyl-6-oxo-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-4-yl)-2-fluorobenzonitrile
SMILES:
COc1ccc(Cn2cc(Cl)cc(N3C(=O)c4nn(-c5cnc(N(C)C)nc5OC)c(C(C)C)c4C3c3ccc(C#N)c(F)c3)c2=O)cc1Molecular Processing
Molecular formula
C35H32ClFN8O4
Molecular weight
683.14
Exact mass
682.2219
XLogP
5.49
TPSA
131.4
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
49
Rings
6
Aromatic rings
5
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.257
Molar refractivity
181.7
Supplementary Information
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