Basic information
- Standard SMILES
O=C(OC1c2ccccc2C(=O)N1c1ccc2ccc(Cl)nc2n1)N1CCN(C(=O)C(F)(F)F)CC1- InChIKey
AXFPHUFERWFFCC-UHFFFAOYSA-N- Molecular formula
- C23H17ClF3N5O4
- Average molar mass
- 519.9 g/mol
Names & identifiers
- Preferred name
- 2-(7-Chloro-1,8-naphthyridin-2-yl)-3-(4-trifluoroacetylpiperazin-1-yl)carbonyloxy-isoindolin-1-one
- IUPAC
- [2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] 4-(2,2,2-trifluoroacetyl)piperazine-1-carboxylate
Names & synonyms
2-(7-Chloro-1,8-naphthyridin-2-yl)-3-(4-trifluoroacetylpiperazin-1-yl)carbonyloxy-isoindolin-1-oneSCHEMBL11488370
Database identifiers
- PubChem CID
- 13728641
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 871
Related reactions
1 records
Compound notes
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