2,2,2-trichloroethyl 4-oxo-5-[(2-phenoxyacetyl)amino]-2-prop-1-en-2-yl-3H-1,3-oxazine-2-carboxylate
Basic information
- CAS
76089-80-0- Standard SMILES
C=C(C)C1(C(=O)OCC(Cl)(Cl)Cl)NC(=O)C(NC(=O)COc2ccccc2)=CO1- InChIKey
FTYDNGJZIHOHJK-UHFFFAOYSA-N- Molecular formula
- C18H17Cl3N2O6
- Average molar mass
- 463.7 g/mol
- Monoisotopic mass
- 462.015219
Names & identifiers
- Preferred name
- 2,2,2-trichloroethyl 4-oxo-5-[(2-phenoxyacetyl)amino]-2-prop-1-en-2-yl-3H-1,3-oxazine-2-carboxylate
- IUPAC
- 2,2,2-trichloroethyl 4-oxo-5-[(2-phenoxyacetyl)amino]-2-prop-1-en-2-yl-3H-1,3-oxazine-2-carboxylate
Names & synonyms
76089-80-0NSC3519612,2,2-trichloroethyl 4-oxo-5-[(2-phenoxyacetyl)amino]-2-prop-1-en-2-yl-3H-1,3-oxazine-2-carboxylateDTXSID10319933NSC-3519612,2,2-trichloroethyl 4-oxo-5-(2-phenoxyacetamido)-2-(prop-1-en-2-yl)-3,4-dihydro-2H-1,3-oxazine-2-carboxylate
Database identifiers
- CAS
76089-80-0- PubChem CID
- 336758
- DTXSID
DTXSID10319933- Nikkaji
- J1.300.206A
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 700
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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