Basic information
- Standard SMILES
CN(C(=O)Cc1ccc(F)cc1C(F)(F)F)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1- InChIKey
ZEBMQGQRJGYTJJ-MRXNPFEDSA-N- Molecular formula
- C24H22F4N2O3
- Average molar mass
- 462.4 g/mol
- Monoisotopic mass
- 462.15665522
Names & identifiers
- Preferred name
- {(7R)-7-[{[4-fluoro-2-(trifluoromethyl)phenyl]acetyl}(methyl)amino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl}acetic acid
- IUPAC
- 2-[(7R)-7-[[2-[4-fluoro-2-(trifluoromethyl)phenyl]acetyl]-methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
Names & synonyms
CHEMBL1778512{(7R)-7-[{[4-fluoro-2-(trifluoromethyl)phenyl]acetyl}(methyl)amino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl}acetic acidSCHEMBL2189937BDBM50344174(R)-2-(7-(2-(4-fluoro-2-(trifluoromethyl)phenyl)-N-methylacetamido)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetic acid
Database identifiers
- PubChem CID
- 54586607
- ChEMBL
CHEMBL1778512
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 62.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 733
Related reactions
1 records
Compound notes
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