5H-1,4-Benzodioxepin-5-one, 2,3-dihydro-3-(4-morpholinylmethyl)-
Basic information
- CAS
22891-58-3- Standard SMILES
O=C1OC(CN2CCOCC2)COc2ccccc21- InChIKey
XCOIWJLLEWEBTB-UHFFFAOYSA-N- Molecular formula
- C14H17NO4
- Average molar mass
- 263.29 g/mol
- Monoisotopic mass
- 263.11575802
Names & identifiers
- Preferred name
- 5H-1,4-Benzodioxepin-5-one, 2,3-dihydro-3-(4-morpholinylmethyl)-
- IUPAC
- 3-(morpholin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxepin-5-one
Names & synonyms
BRN 122001322891-58-32,3-Dihydro-3-(4-morpholinylmethyl)-5H-1,4-benzodioxepin-5-one5H-1,4-Benzodioxepin-5-one, 2,3-dihydro-3-(4-morpholinylmethyl)-RefChem:305266DTXSID309455713-[(Morpholin-4-yl)methyl]-2,3-dihydro-5H-1,4-benzodioxepin-5-one
Database identifiers
- CAS
22891-58-3- PubChem CID
- 211315
- DTXSID
DTXSID30945571
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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