Basic information
- Standard SMILES
CCOC(=O)CC1CC2(CCN(C(=O)/C=C/c3ccccc3C(F)(F)F)CC2)c2c(Br)cccc21- InChIKey
VZJULOJFKSXMKQ-ZHACJKMWSA-N- Molecular formula
- C27H27BrF3NO3
- Average molar mass
- 550.4 g/mol
Names & identifiers
- Preferred name
- (+/-)-(E)-ethyl 2-(7-bromo-1'-(3-(2-(trifluoromethyl)phenyl)acryloyl)-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl)acetate
- IUPAC
- ethyl 2-[4-bromo-1'-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetate
Names & synonyms
(+/-)-(E)-ethyl 2-(7-bromo-1'-(3-(2-(trifluoromethyl)phenyl)acryloyl)-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl)acetateSCHEMBL12548106
Database identifiers
- PubChem CID
- 44226472
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 793
Related reactions
2 records
Compound notes
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