Basic information
- CAS
1211688-52-6- Standard SMILES
O=C(NCc1ccc(Cl)s1)N1CCN(Cc2ccco2)CC1- InChIKey
XIMQEWSUXORASV-UHFFFAOYSA-N- Molecular formula
- C15H18ClN3O2S
- Average molar mass
- 339.8 g/mol
- Monoisotopic mass
- 339.0808257
Names & identifiers
- Preferred name
- N-[(5-Chloro-2-thienyl)methyl]-4-(2-furanylmethyl)-1-piperazinecarboxamide
- IUPAC
- N-[(5-chlorothiophen-2-yl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide
Names & synonyms
DTXSID101146082AKOS034440602N-[(5-Chloro-2-thienyl)methyl]-4-(2-furanylmethyl)-1-piperazinecarboxamide1211688-52-6Z544048922N-[(5-chlorothiophen-2-yl)methyl]-4-[(furan-2-yl)methyl]piperazine-1-carboxamide
Database identifiers
- CAS
1211688-52-6- PubChem CID
- 45910101
- DTXSID
DTXSID101146082
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 77 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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