C1C2=C(C(=CC(=C2)Br)Cl)C(=O)N1CC3=CC=C(C=C3)OC4=CC=CC=C4
Name: 5-bromo-7-chloro-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one
SMILES: C1C2=C(C(=CC(=C2)Br)Cl)C(=O)N1CC3=CC=C(C=C3)OC4=CC=CC=C4

Molecular Processing

Molecular formula
C21H15BrClNO2
Molecular weight
428.71
Exact mass
426.9975
XLogP
6.05
TPSA
29.54
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
26
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.095
Molar refractivity
105.69

Supplementary Information

InChIKey: RPTFAZZPNHCCLK-UHFFFAOYSA-N
Synonyme
SCHEMBL2022587RPTFAZZPNHCCLK-UHFFFAOYSA-N5-bromo-7-chloro-2-(4-phenoxy-benzyl)-2,3-dihydro-isoindol-1-one
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