Basic information
- Standard SMILES
CC(C)(C)OC(=O)n1c(-c2ccc(OS(=O)(=O)c3ccsc3)c3c2C(=O)NC3)cc2cc(CN3CCCCC3)ccc21- InChIKey
PQYPTIPOMKRSOY-UHFFFAOYSA-N- Molecular formula
- C31H33N3O6S2
- Average molar mass
- 607.7 g/mol
Names & identifiers
- Preferred name
- 4-(3-Thiophenesulfonyloxy)-7-[1-(tert-butoxycarbonyl)-5-(piperidinomethyl)indol-2-yl]isoindolinone
- IUPAC
- tert-butyl 2-(3-oxo-7-thiophen-3-ylsulfonyloxy-1,2-dihydroisoindol-4-yl)-5-(piperidin-1-ylmethyl)indole-1-carboxylate
Names & synonyms
SCHEMBL3042486PQYPTIPOMKRSOY-UHFFFAOYSA-N4-(3-thiophenesulfonyloxy)-7-[1-(tert-butoxycarbonyl)-5-(piperidinomethyl)indol-2-yl]isoindolinone
Database identifiers
- PubChem CID
- 86628261
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,100
Related reactions
1 records
Compound notes
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