Name: 1-[3-(6-tert-Butyl-8-fluoro-1-oxo-1H-phthalazin-2-yl)-2-formyl-phenyl]-3-[4-(1-hydroxy-1-methyl-ethyl)-phenylamino]-1H-pyrazole-4-carboxylic acid amide
SMILES:
CC(C)(C)c1cc(F)c2c(=O)n(-c3cccc(-n4cc(C(N)=O)c(Nc5ccc(C(C)(C)O)cc5)n4)c3C=O)ncc2c1Molecular Processing
Molecular formula
C32H31FN6O4
Molecular weight
582.64
Exact mass
582.2391
XLogP
4.89
TPSA
145.13
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
43
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.219
Molar refractivity
161.99
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→