Name: 1-(3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-2-(hydroxymethyl)phenyl)-6-morpholino-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
SMILES:
CC(C)(C)c1cc(F)c2c(=O)n(-c3cccc(-n4cc(C#N)c5ccc(N6CCOCC6)nc54)c3CO)ncc2c1Molecular Processing
Molecular formula
C31H29FN6O3
Molecular weight
552.61
Exact mass
552.2285
XLogP
4.36
TPSA
109.2
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
41
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.29
Molar refractivity
154.3
Supplementary Information
Details werden geladen…
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