Nombre: 2-(2-methoxy-4-methylsulfanylphenyl)-7,7-dimethyl-5,5a-dihydroimidazo[4,5-h]isoquinoline-4,6-dione

SMILES: CC1(C(=O)C2CC(=O)C3=NC(=NC3=C2C=N1)C4=C(C=C(C=C4)SC)OC)C

Molecular Processing

Molecular formula

C20H19N3O3S

Molecular weight

381.46

Exact mass

381.1147

XLogP

2.89

TPSA

80.45

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.35

Molar refractivity

106.47

Supplementary Information

InChIKey: FJXAECKIZZTLKI-UHFFFAOYSA-N

Sinónimos

SCHEMBL11561918FJXAECKIZZTLKI-UHFFFAOYSA-N7,7-dimethyl-2-(2-methoxy-4-methylmercapto-phenyl)-5H,7H-imidazo[4,5-h]isoquinoline-4,6-dione