이름: 2-(2-methoxy-4-methylsulfanylphenyl)-7,7-dimethyl-5,5a-dihydroimidazo[4,5-h]isoquinoline-4,6-dione;hydrochloride
SMILES:
CC1(C(=O)C2CC(=O)C3=NC(=NC3=C2C=N1)C4=C(C=C(C=C4)SC)OC)C.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
InChIKey: KMWVYBXUSLRSFH-UHFFFAOYSA-N
동의어
SCHEMBL11561033KMWVYBXUSLRSFH-UHFFFAOYSA-N7,7-dimethyl-2-(2-methoxy-4-methylmercapto-phenyl)-5H,7H-imidazo[4,5-h]isoquinoline-4,6-dione hydrochloride
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