Name: (1S,3R)—N1-[2-[5-chloro-1-(p-tolylsulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-5-fluoro-pyrimidin-4-yl]cyclohexane-1,3-diamine
SMILES:
Cc1ccc(S(=O)(=O)n2cc(-c3ncc(F)c(N[C@H]4CCC[C@@H](N)C4)n3)c3cc(Cl)cnc32)cc1Molecular Processing
Molecular formula
C24H24ClFN6O2S
Molecular weight
515.01
Exact mass
514.1354
XLogP
4.51
TPSA
115.79
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
35
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.292
Molar refractivity
133.34
Supplementary Information
Details werden geladen…
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