Basic information
- Standard SMILES
CCCCNC(=O)OC1c2cc(C(F)(F)F)ccc2C(=O)N1c1ccc2ccc(Cl)nc2n1- InChIKey
NGJKRPNIPAUWBS-UHFFFAOYSA-N- Molecular formula
- C22H18ClF3N4O3
- Average molar mass
- 478.8 g/mol
Names & identifiers
- Preferred name
- 3-n-Butylaminocarbonyloxy-2-(7-chloro-1,8-naphthyridin-2-yl)-5-trifluoromethyl-isoindolin-1-one
- IUPAC
- [2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-6-(trifluoromethyl)-1H-isoindol-1-yl] N-butylcarbamate
Names & synonyms
3-n-butylaminocarbonyloxy-2-(7-chloro-1,8-naphthyridin-2-yl)-5-trifluoromethyl-isoindolin-1-oneSCHEMBL11606891
Database identifiers
- PubChem CID
- 22754759
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 84.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 727
Related reactions
3 records
Compound notes
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