Nombre: tert-butyl 2-[[[2-[5-chloro-1-(p-tolylsulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-5-fluoro-pyrimidin-4-yl]amino]methyl]-4,4-difluoro-piperidine-1-carboxylate
SMILES:
Cc1ccc(S(=O)(=O)n2cc(-c3ncc(F)c(NCC4CC(F)(F)CCN4C(=O)OC(C)(C)C)n3)c3cc(Cl)cnc32)cc1Molecular Processing
Molecular formula
C29H30ClF3N6O4S
Molecular weight
651.11
Exact mass
650.169
XLogP
6.28
TPSA
119.31
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
44
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.379
Molar refractivity
158.89
Supplementary Information
Obteniendo detalles…
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