Name: 1-(3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-2-(hydroxymethyl)phenyl)-6-((dimethylamino)methyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
SMILES:
CN(C)Cc1ccc2c(C#N)cn(-c3cccc(-n4ncc5cc(C(C)(C)C)cc(F)c5c4=O)c3CO)c2n1Molecular Processing
Molecular formula
C30H29FN6O2
Molecular weight
524.6
Exact mass
524.2336
XLogP
4.59
TPSA
99.97
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
39
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
0.267
Molar refractivity
148.65
Supplementary Information
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