名称: 3-bromo-1-(4-ethylpiperazin-1-yl)isoquinoline
SMILES:
CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)BrMolecular Processing
Molecular formula
C15H18BrN3
Molecular weight
320.23
Exact mass
319.0684
XLogP
3.14
TPSA
19.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
83.77
Supplementary Information
InChIKey: OJNSJYODBPPUMO-UHFFFAOYSA-N
同義語
SCHEMBL4763429OJNSJYODBPPUMO-UHFFFAOYSA-N1-(1-ethylpiperazin-4-yl)-3-bromoisoquinoline1-(4-ethylpiperazin-1-yl)-3-bromoisoquinoline3-bromo-1-(4-ethylpiperazin-1-yl)isoquinoline3-Bromo-1-(4-ethylpiperazin-1-yl) isoquinoline
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