Ethyl[7-(methyloxy)-3-oxo-6-(trifluoromethyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetate

HCID 57437814

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCOC(=O)CN1C(=O)COc2cc(OC)c(C(F)(F)F)cc21
InChIKey: JKDHKPWXADDLFD-UHFFFAOYSA-N
Molecular formula: C14H14F3NO5
Average molar mass: 333.26 g/mol

Names & identifiers

Preferred name: Ethyl[7-(methyloxy)-3-oxo-6-(trifluoromethyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetate
IUPAC: ethyl 2-[7-methoxy-3-oxo-6-(trifluoromethyl)-1,4-benzoxazin-4-yl]acetate

Names & synonyms

Ethyl[7-(methyloxy)-3-oxo-6-(trifluoromethyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetateSCHEMBL13108897ethyl [7-(methyloxy)-3-oxo-6-(trifluoromethyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetate

Database identifiers

PubChem CID: 57437814

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 65.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 5
Heavy atoms: 23
Formal charge: 0
Complexity: 456

Related reactions

6 records

New reaction record

HRID 284440As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1552355As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2114398As productuspto-grants-2008_10

HRID 2114399As reactantuspto-grants-2008_10

HRID 2354397As productuspto-grants-2010_07

HRID 2354398As reactantuspto-grants-2010_07

Compound notes

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