名称: 7,7-dimethyl-2-(2-methoxy-4-methylmercapto-phenyl)-5H,7H-imidazo[4,5-h]isoquinoline-4,6-dione hydrochloride
SMILES:
COc1cc(SC)ccc1C1=NC2=C3C=NC(C)(C)C(=O)C3CC(=O)C2=N1.ClMolecular Processing
Molecular formula
C20H20ClN3O3S
Molecular weight
417.92
Exact mass
417.0914
XLogP
3.32
TPSA
80.45
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
28
Rings
4
Aromatic rings
1
Saturated rings
0
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.35
Molar refractivity
113.71
Supplementary Information
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