Basic information
- Standard SMILES
CC(=O)OCCn1ccc2c(NC(=O)Cc3ccc(F)c(C(F)(F)F)c3)c(Cl)ccc2c1=O- InChIKey
FYBFXTQENXYJPL-UHFFFAOYSA-N- Molecular formula
- C22H17ClF4N2O4
- Average molar mass
- 484.8 g/mol
Names & identifiers
- Preferred name
- 2-(6-Chloro-5-(2-(4-fluoro-3-(trifluoromethyl)phenyl)acetamido)-1-oxoisoquinolin-2(1H)-yl)ethyl acetate
- IUPAC
- 2-[6-chloro-5-[[2-[4-fluoro-3-(trifluoromethyl)phenyl]acetyl]amino]-1-oxoisoquinolin-2-yl]ethyl acetate
Names & synonyms
2-(6-Chloro-5-(2-(4-fluoro-3-(trifluoromethyl)phenyl)acetamido)-1-oxoisoquinolin-2(1H)-yl)ethyl acetateSCHEMBL3066722-(6-chloro-5-(2-(4-fluoro-3-(trifluoromethyl)phenyl)acetamido)-1-oxoisoquinolin-2(1 H)-yl)ethyl acetate
Database identifiers
- PubChem CID
- 59515871
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 778
Related reactions
6 records
Compound notes
Loading…