Name: tert-butyl 2-(5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-ylcarbamoyl)morpholine-4-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCOC(C(=O)Nc2c[nH]c3ncc(Br)c(F)c23)C1Molecular Processing
Molecular formula
C17H20BrFN4O4
Molecular weight
443.27
Exact mass
442.0652
XLogP
3.04
TPSA
96.55
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
99.93
Supplementary Information
Details werden geladen…
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