Name: 1-acetyl-5-bromo-6-[(1-methyl-1,2,5,6-tetrahydropyridine-4-yl)methoxy]indoline
SMILES:
CC(=O)N1CCc2cc(Br)c(OCC3=CCN(C)CC3)cc21Molecular Processing
Molecular formula
C17H21BrN2O2
Molecular weight
365.27
Exact mass
364.0786
XLogP
3
TPSA
32.78
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
91.57
Supplementary Information
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