Basic information
- CAS
57462-71-2- Standard SMILES
CC[NH+](CC)CCN1C(=O)C(c2ccccc2)Oc2ccc(Cl)cc21.[Cl-]- InChIKey
LPOQXPPCSQBNRX-UHFFFAOYSA-N- Molecular formula
- C20H24Cl2N2O2
- Average molar mass
- 395.3 g/mol
- Monoisotopic mass
- 394.1214834
Names & identifiers
- Preferred name
- 4H-1,4-Benzoxazin-3-one, 2,3-dihydro-6-chloro-4-(2-diethylaminoethyl)-2-phenyl-, hydrochloride
- IUPAC
- 2-(6-chloro-3-oxo-2-phenyl-1,4-benzoxazin-4-yl)ethyl-diethylazanium chloride
Names & synonyms
57462-71-24H-1,4-Benzoxazin-3-one, 2,3-dihydro-6-chloro-4-(2-diethylaminoethyl)-2-phenyl-, hydrochlorideRefChem:297132
Database identifiers
- CAS
57462-71-2- PubChem CID
- 42322
Properties
Computed structural properties
- Topological polar surface area
- 34 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 437
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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