Name: 1-Acetyl-6-bromo-5-[(1,2,3,5,6,8a-hexahydroindolizin-7-yl)methoxy]indoline
SMILES:
CC(=O)N1CCc2cc(OCC3=CC4CCCN4CC3)c(Br)cc21Molecular Processing
Molecular formula
C19H23BrN2O2
Molecular weight
391.31
Exact mass
390.0943
XLogP
3.53
TPSA
32.78
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
24
Rings
4
Aromatic rings
1
Saturated rings
1
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.526
Molar refractivity
98.66
Supplementary Information
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