Название: (5S,7S)-7-(2-(5-chloro-1-tosyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-ylamino)-3-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
SMILES:
Cc1ccc(S(=O)(=O)n2cc(-c3ncc(F)c(N[C@H]4CCC[C@]5(C4)CN(C)C(=O)O5)n3)c3cc(Cl)cnc32)cc1Molecular Processing
Molecular formula
C27H26ClFN6O4S
Molecular weight
585.06
Exact mass
584.1409
XLogP
5.01
TPSA
119.31
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
40
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
147.21
Supplementary Information
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