Nom: (2-(5-chloro-1-tosyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-ylamino)cyclohexane-1,2-diol
SMILES:
Cc1ccc(S(=O)(=O)n2cc(-c3ncc(F)c(NC4(O)CCCCC4O)n3)c3cc(Cl)cnc32)cc1Molecular Processing
Molecular formula
C24H23ClFN5O4S
Molecular weight
532
Exact mass
531.1143
XLogP
3.87
TPSA
130.23
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
36
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.292
Molar refractivity
132.54
Supplementary Information
Récupération des détails…
Impliqué dans 2 réactions→