Nombre: 1,1-dimethylethyl 4-[4-bromo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-4-hydroxy-1-piperidinecarboxylate
SMILES:
CC(C)(C)OC(=O)N1CCC(O)(c2cc3c(Br)ccnc3n2S(=O)(=O)c2ccccc2)CC1Molecular Processing
Molecular formula
C23H26BrN3O5S
Molecular weight
536.45
Exact mass
535.0777
XLogP
4.25
TPSA
101.73
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
127.4
Supplementary Information
Obteniendo detalles…
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