Basic information
- CAS
5852-19-7- Standard SMILES
CN1CCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)CC1- InChIKey
LKEMJHAHYXGXNL-UHFFFAOYSA-N- Molecular formula
- C14H14Cl2N2OS
- Average molar mass
- 329.2 g/mol
- Monoisotopic mass
- 328.0203896
Names & identifiers
- Preferred name
- (3,6-Dichloro-benzo[b]thiophen-2-yl)-(4-methyl-piperazin-1-yl)-methanone
- IUPAC
- (3,6-dichloro-1-benzothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone
Names & synonyms
5852-19-7(3,6-dichloro-1-benzothiophen-2-yl)(4-methylpiperazin-1-yl)methanone1-(3,6-DICHLORO-1-BENZOTHIOPHENE-2-CARBONYL)-4-METHYLPIPERAZINECBMicro_035691(3,6-Dichloro-benzo[b]thiophen-2-yl)-(4-methyl-piperazin-1-yl)-methanoneCambridge id 5852197Oprea1_659311Oprea1_687222SCHEMBL3455484DTXSID60355240STL333461(3,6-dichloro-1-benzothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone
Show more names
AKOS000532447BIM-0035533.P001ST45365886ST50004272AB00099314-01AH-034/116502671-[(3,6-dichloro-1-benzothien-2-yl)carbonyl]-4-methylpiperazine(3,6-dichlorobenzo[b]thiophen-2-yl)(4-methylpiperazin-1-yl)methanone
Database identifiers
- CAS
5852-19-7- PubChem CID
- 794591
- DTXSID
DTXSID60355240
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…