CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)CC(=O)C4=CC=CC=C4
Название: 2-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-1-phenylethanone
SMILES: CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)CC(=O)C4=CC=CC=C4

Molecular Processing

Molecular formula
C23H25N3O
Molecular weight
359.47
Exact mass
359.1998
XLogP
3.8
TPSA
36.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.304
Molar refractivity
110.55

Supplementary Information

InChIKey: QDZDITIHCJKDCO-UHFFFAOYSA-N
Синонимы
SCHEMBL4768489QDZDITIHCJKDCO-UHFFFAOYSA-N1-(4-ethylpiperazin-1-yl)-3-phenacylisoquinoline
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