Basic information
- CAS
82278-28-2- Standard SMILES
CS(=O)(=O)O.O=C(COc1ccccc1)NCCN1CCN(c2cccc(C(F)(F)F)c2)CC1- InChIKey
FOIDXFCCCSNNOK-UHFFFAOYSA-N- Molecular formula
- C22H28F3N3O5S
- Average molar mass
- 503.5 g/mol
- Monoisotopic mass
- 503.17017666
Overview
anti-aggressive agent in rats; structure in first source
Names & identifiers
- Preferred name
- DU 28412
- IUPAC
- methanesulfonic acid;2-phenoxy-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]acetamide
- English name
- methanesulfonic acid, 2-phenoxy-N-[2-[4-[3-(trifluoromethyl)phenyl]pip erazin-1-yl]ethyl]acetamide
- Molecular formula
- C22H28F3N3O5S
- Molecular weight
- 503.54
Names & synonyms
82278-28-2DU 28412DU-28412DTXSID40231659RefChem:135933DTXCID20154150Acetamide, 2-phenoxy-N-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, monomethanesulfonateMethanesulfonic acid--2-phenoxy-N-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)acetamide (1/1)methanesulfonic acid, 2-phenoxy-N-[2-[4-[3-(trifluoromethyl)phenyl]pip erazin-1-yl]ethyl]acetamide
Database identifiers
- CAS
82278-28-2- PubChem CID
- 133882
- DTXSID
DTXSID40231659
Properties
Computed structural properties
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 596
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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