名称: 4-acetylamino-5-bromo-2-methoxy-N-(2-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
SMILES:
COc1cc(NC(C)=O)c(Br)cc1C(=O)Nc1cccc2c1CCN(C)C2Molecular Processing
Molecular formula
C20H22BrN3O3
Molecular weight
432.32
Exact mass
431.0845
XLogP
3.66
TPSA
70.67
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
109.43
Supplementary Information
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