Basic information
- CAS
612525-43-6- Standard SMILES
O=C(c1sc2cc(F)ccc2c1Cl)N1CCN(c2ccccc2F)CC1- InChIKey
LNGLPJHWQBXTLC-UHFFFAOYSA-N- Molecular formula
- C19H15ClF2N2OS
- Average molar mass
- 392.8 g/mol
- Monoisotopic mass
- 392.0561683
Names & identifiers
- Preferred name
- 1-[(3-Chloro-6-fluoro-1-benzothien-2-yl)carbonyl]-4-(2-fluorophenyl)piperazine
- IUPAC
- (3-chloro-6-fluoro-1-benzothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
- English name
- 1-[(3-chloro-6-fluoro-1-benzothien-2-yl)carbonyl]-4-(2-fluorophenyl)piperazine
- Molecular formula
- C19H15ClF2N2OS
- Molecular weight
- 392.8500064
Names & synonyms
1-[(3-chloro-6-fluoro-1-benzothien-2-yl)carbonyl]-4-(2-fluorophenyl)piperazineSTK807267AKOS000806377(3-chloro-6-fluoro-1-benzothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanoneST50776737AF-399/419874243-chloro-6-fluorobenzo[b]thiophen-2-yl 4-(2-fluorophenyl)piperazinyl ketone(3-chloro-6-fluoro-1-benzothiophen-2-yl)[4-(2-fluorophenyl)piperazin-1-yl]methanone
Database identifiers
- CAS
612525-43-6- PubChem CID
- 1033472
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 520
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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