COC1=CC2=C(C=C1)N=CC(=O)N2CCN3CCC(CC3)NCC4=CC5=C(C=C4Br)OCCO5.Cl
Nombre: 1-[2-[4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]piperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one;hydrochloride
SMILES: COC1=CC2=C(C=C1)N=CC(=O)N2CCN3CCC(CC3)NCC4=CC5=C(C=C4Br)OCCO5.Cl

Molecular Processing

Molecular formula
C25H30BrClN4O4
Molecular weight
565.9
Exact mass
564.1139
XLogP
3.61
TPSA
77.85
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
35
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.44
Molar refractivity
141.24

Supplementary Information

InChIKey: NHSIIHPKXDHELH-UHFFFAOYSA-N
Sinónimos
SCHEMBL2799480NHSIIHPKXDHELH-UHFFFAOYSA-N1-(2-(4-((7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)methylamino)piperidin-1-yl)ethyl)-7-methoxyquinoxalin-2(1H)-one hydrochloride
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