C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=C(N=C4C(=C3)C=CC=C4Br)C5=CC(=CC=C5)F
Nom: 2-[[8-bromo-2-(3-fluorophenyl)quinolin-3-yl]methyl]isoindole-1,3-dione
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=C(N=C4C(=C3)C=CC=C4Br)C5=CC(=CC=C5)F

Molecular Processing

Molecular formula
C24H14BrFN2O2
Molecular weight
461.29
Exact mass
460.0223
XLogP
5.6
TPSA
50.27
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
30
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.042
Molar refractivity
115.48

Supplementary Information

InChIKey: LXYMOUGGOBQACT-UHFFFAOYSA-N
Synonymes
SCHEMBL4182447LXYMOUGGOBQACT-UHFFFAOYSA-N2-((8-bromo-2-(3-fluorophenyl)quinolin-3-yl)methyl)-isoindoline-1,3-dione2-((8-bromo-2-(3-fluorophenyl)quinolin-3-yl)methyl)isoindoline-1,3-dione
Voir la source →
Impliqué dans 6 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→