Name: tert-butyl 5-formyl-2-(6-methoxy-7-methylsulfonyloxy-3-oxo-1,2-dihydroisoindol-4-yl)indole-1-carboxylate

SMILES: CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)C=O)C=C1C3=CC(=C(C4=C3C(=O)NC4)OS(=O)(=O)C)OC

Molecular Processing

Molecular formula

C24H24N2O8S

Molecular weight

500.53

Exact mass

500.1253

XLogP

3.49

TPSA

130

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.292

Molar refractivity

127.59

Supplementary Information

InChIKey: LXIAAPJJGKGLOA-UHFFFAOYSA-N

Synonyms

SCHEMBL3034068LXIAAPJJGKGLOA-UHFFFAOYSA-N4-methanesulfonyloxy-5-methoxy-7-[1-(tert-butoxycarbonyl)-5-formylindol-2-yl]isoindolinone