Name: 2-[4-(7-bromoquinoxalin-5-yl)oxycyclohexyl]isoindoline-1,3-dione
SMILES:
O=C1c2ccccc2C(=O)N1C1CCC(Oc2cc(Br)cc3nccnc23)CC1Molecular Processing
Molecular formula
C22H18BrN3O3
Molecular weight
452.31
Exact mass
451.0532
XLogP
4.38
TPSA
72.39
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
29
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
110.85
Supplementary Information
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