이름: 3-[4-(2-dimethylamino-ethoxy)-phenyl]-5-methyl-2H-isoquinolin-1-one
SMILES:
Cc1cccc2c(=O)[nH]c(-c3ccc(OCCN(C)C)cc3)cc12Molecular Processing
Molecular formula
C20H22N2O2
Molecular weight
322.41
Exact mass
322.1681
XLogP
3.44
TPSA
45.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
98.79
Supplementary Information
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