Basic information
- CAS
7478-22-0- Standard SMILES
CC(=O)C(C(c1ccc(Br)cc1)N1CCOCC1)N1CCOCC1- InChIKey
RGIWWANGNSOXSZ-UHFFFAOYSA-N- Molecular formula
- C18H25BrN2O3
- Average molar mass
- 397.3 g/mol
- Monoisotopic mass
- 396.10486
Names & identifiers
- Preferred name
- 4-(4-Bromophenyl)-3,4-dimorpholin-4-ylbutan-2-one
- IUPAC
- 4-(4-bromophenyl)-3,4-dimorpholin-4-ylbutan-2-one
Names & synonyms
7478-22-04-(4-bromophenyl)-3,4-dimorpholin-4-ylbutan-2-oneNSC402888DTXSID80323042NSC-4028884-(4-Bromophenyl)-3,4-bis(morpholin-4-yl)butan-2-one
Database identifiers
- CAS
7478-22-0- PubChem CID
- 345320
- DTXSID
DTXSID80323042
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 403
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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