Basic information
- CAS
7469-67-2- Standard SMILES
O=C(c1ccc(Br)cc1)C(C(c1ccccc1)N1CCOCC1)N1CCOCC1- InChIKey
XVUNOWUMMAEDOT-UHFFFAOYSA-N- Molecular formula
- C23H27BrN2O3
- Average molar mass
- 459.4 g/mol
- Monoisotopic mass
- 458.12051
Names & identifiers
- Preferred name
- 1-(4-Bromophenyl)-2,3-bis(morpholin-4-yl)-3-phenylpropan-1-one
- IUPAC
- 1-(4-bromophenyl)-2,3-dimorpholin-4-yl-3-phenylpropan-1-one
Names & synonyms
7469-67-2NSC401393DTXSID703312121-(4-Bromophenyl)-2,3-bis(morpholin-4-yl)-3-phenylpropan-1-oneNSC-401393
Database identifiers
- CAS
7469-67-2- PubChem CID
- 436409
- DTXSID
DTXSID70331212
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 508
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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