Basic information
- Standard SMILES
Nc1cnc(OCC(F)(F)F)c(-c2ccc(NC(=O)OCc3ccccc3)c(Cl)c2)c1- InChIKey
JWWQCCZMGQQTOF-UHFFFAOYSA-N- Molecular formula
- C21H17ClF3N3O3
- Average molar mass
- 451.8 g/mol
- Monoisotopic mass
- 451.0910536
Names & identifiers
- Preferred name
- {4-[5-Amino-2-(2,2,2-trifluoro-ethoxy)-pyridin-3-yl]-2-chloro-phenyl}-carbamic acid benzyl ester
- IUPAC
- benzyl N-[4-[5-amino-2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-chlorophenyl]carbamate
Names & synonyms
{4-[5-Amino-2-(2,2,2-trifluoro-ethoxy)-pyridin-3-yl]-2-chloro-phenyl}-carbamic acid benzyl esterSCHEMBL2113388
Database identifiers
- PubChem CID
- 67280667
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 86.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 578
Related reactions
4 records
Compound notes
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