Name: 6-bromo-1-(3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-2-(hydroxymethyl)phenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
SMILES:
CC(C)(C)c1cc(F)c2c(=O)n(-c3cccc(-n4cc(C#N)c5ccc(Br)nc54)c3CO)ncc2c1Molecular Processing
Molecular formula
C27H21BrFN5O2
Molecular weight
546.4
Exact mass
545.0863
XLogP
5.29
TPSA
96.73
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
36
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.185
Molar refractivity
138.96
Supplementary Information
Details werden geladen…
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