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

Molecular Processing

Molecular formula
C23H27N3O
Molecular weight
361.49
Exact mass
361.2154
XLogP
3.65
TPSA
39.6
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
111.18

Supplementary Information

InChIKey: XPNJDSRJHWIGAD-UHFFFAOYSA-N
Синонимы
SCHEMBL4773957XPNJDSRJHWIGAD-UHFFFAOYSA-N1-(4-ethylpiperazin-1-yl)-3-(2-hydroxy-2-phenylethyl)isoquinoline
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