4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo-, 2-(diethylamino)ethyl ester
Basic information
- CAS
91119-96-9- Standard SMILES
CCN(CC)CCOC(=O)CN1C(=O)COc2ccc(C(C)=O)cc21- InChIKey
MXDDMLBNZIATSF-UHFFFAOYSA-N- Molecular formula
- C18H24N2O5
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.16852187
Names & identifiers
- Preferred name
- 4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo-, 2-(diethylamino)ethyl ester
- IUPAC
- 2-(diethylamino)ethyl 2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)acetate
Names & synonyms
BRN 45596764H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo-, 2-(diethylamino)ethyl ester91119-96-9DTXSID702384146-Acetyl-4-(N,N-diethylaminoethylcarboxymethyl)-2H-1,4-benzoxazin-3(4H)-one6-Acetyl-2,3-dihydro-3-oxo-4H-1,4-benzoxazine-4-acetic acid 2-(diethylamino)ethyl esterRefChem:297143DTXCID901609052-(diethylamino)ethyl (6-acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate
Database identifiers
- CAS
91119-96-9- PubChem CID
- 56182
- DTXSID
DTXSID70238414
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 492
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Compound notes
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