1H-Azepine-1-acetamide, hexahydro-N-(3-(2-thienyl)-5-isoxazolyl)-, monohydrochloride
Basic information
- CAS
37852-51-0- Standard SMILES
Cl.O=C(CN1CCCCCC1)Nc1cc(-c2cccs2)no1- InChIKey
COKHBUVDRNDFII-UHFFFAOYSA-N- Molecular formula
- C15H20ClN3O2S
- Average molar mass
- 341.9 g/mol
- Monoisotopic mass
- 341.0964758
Names & identifiers
- Preferred name
- 1H-Azepine-1-acetamide, hexahydro-N-(3-(2-thienyl)-5-isoxazolyl)-, monohydrochloride
- IUPAC
- 2-(azepan-1-yl)-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)acetamide;hydrochloride
Names & synonyms
Hexahydro-N-(3-(2-thienyl)-5-isoxazolyl)-1H-azepine-1-acetamide monohydrochloride37852-51-01H-Azepine-1-acetamide, hexahydro-N-(3-(2-thienyl)-5-isoxazolyl)-, monohydrochlorideRefChem:237366DTXSID10958881(Azepan-1-yl)-N-[3-(thiophen-2-yl)-1,2-oxazol-5-yl]ethanimidic acid--hydrogen chloride (1/1)2-(Azepan-1-yl)-N-[3-(thiophen-2-yl)-1,2-oxazol-5-yl]ethanimidic acid--hydrogen chloride (1/1)
Database identifiers
- CAS
37852-51-0- PubChem CID
- 216889
- DTXSID
DTXSID10958881
Properties
Computed structural properties
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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