CC1(C(=O)C2CC(=O)C3=NC(=NC3=C2C=N1)C4CCCCC4)C
الاسم: 2-cyclohexyl-7,7-dimethyl-5,5a-dihydroimidazo[4,5-h]isoquinoline-4,6-dione
SMILES: CC1(C(=O)C2CC(=O)C3=NC(=NC3=C2C=N1)C4CCCCC4)C

Molecular Processing

Molecular formula
C18H21N3O2
Molecular weight
311.39
Exact mass
311.1634
XLogP
2.7
TPSA
71.22
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
23
Rings
4
Aromatic rings
0
Saturated rings
1
Aliphatic rings
4
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
89.16

Supplementary Information

InChIKey: LCOUAQQRZFAVEQ-UHFFFAOYSA-N
مرادفات
SCHEMBL11558515LCOUAQQRZFAVEQ-UHFFFAOYSA-N7,7-dimethyl-2-cyclohexyl-5H,7H-imidazo[4,5-h]isoquinoline-4,6-dione
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