4H-1,4-Benzoxazin-3-one, 2,3-dihydro-6-chloro-4-(2-(dimethylamino)propyl)-2-ethyl-, oxalate
Basic information
- CAS
57462-84-7- Standard SMILES
CCC1Oc2ccc(Cl)cc2N(CC(C)[NH+](C)C)C1=O.O=C([O-])C(=O)O- InChIKey
SJORMDVXATZFFN-UHFFFAOYSA-N- Molecular formula
- C17H23ClN2O6
- Average molar mass
- 386.8 g/mol
- Monoisotopic mass
- 386.1244642
Names & identifiers
- Preferred name
- 4H-1,4-Benzoxazin-3-one, 2,3-dihydro-6-chloro-4-(2-(dimethylamino)propyl)-2-ethyl-, oxalate
- IUPAC
- 1-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)propan-2-yl-dimethylazanium;2-hydroxy-2-oxoacetate
Names & synonyms
4H-1,4-Benzoxazin-3-one, 2,3-dihydro-6-chloro-4-(2-(dimethylamino)propyl)-2-ethyl-, oxalate57462-84-7RefChem:297128
Database identifiers
- CAS
57462-84-7- PubChem CID
- 42336
Properties
Computed structural properties
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 429
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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