الاسم: 1-(2-(4-((7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)methylamino)piperidin-1-yl)ethyl)-7-methoxyquinoxalin-2(1H)-one
SMILES:
COc1ccc2ncc(=O)n(CCN3CCC(NCc4cc5c(cc4Br)OCCO5)CC3)c2c1Molecular Processing
Molecular formula
C25H29BrN4O4
Molecular weight
529.44
Exact mass
528.1372
XLogP
3.19
TPSA
77.85
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
34
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
133.99
Supplementary Information
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