Basic information
- Standard SMILES
CC(C)(C)OC(=O)n1c(-c2ccc(OS(=O)(=O)c3cccc(C(F)(F)F)c3)c3c2C(=O)NC3)cc2cc(CN3CCCCC3)ccc21- InChIKey
WUAVANCMJJEMFL-UHFFFAOYSA-N- Molecular formula
- C34H34F3N3O6S
- Average molar mass
- 669.7 g/mol
- Monoisotopic mass
- 669.21204147
Names & identifiers
- Preferred name
- 4-(3-Trifluoromethylbenzenesulfonyloxy)-7-[1-(tert-butoxycarbonyl)-5-(piperidinomethyl)indol-2-yl]isoindolinone
- IUPAC
- tert-butyl 2-[3-oxo-7-[3-(trifluoromethyl)phenyl]sulfonyloxy-1,2-dihydroisoindol-4-yl]-5-(piperidin-1-ylmethyl)indole-1-carboxylate
Names & synonyms
4-(3-trifluoromethylbenzenesulfonyloxy)-7-[1-(tert-butoxycarbonyl)-5-(piperidinomethyl)indol-2-yl]isoindolinoneSCHEMBL3047368
Database identifiers
- PubChem CID
- 86628271
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,250
Related reactions
1 records
Compound notes
Loading…