Basic information
- CAS
20500-21-4- Standard SMILES
c1ccc(CN2CCN(C3CCCSc4ccccc43)CC2)cc1- InChIKey
DWOMXKJFILUXON-UHFFFAOYSA-N- Molecular formula
- C21H26N2S
- Average molar mass
- 338.5 g/mol
- Monoisotopic mass
- 338.18167001
Names & identifiers
- Preferred name
- 1-Benzyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine
- IUPAC
- 1-benzyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine
- English name
- 1-benzyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine
- Molecular formula
- C21H26N2S
- Molecular weight
- 338.50954
Names & synonyms
1-benzyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine20500-21-4Piperazine, 1-(phenylmethyl)-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-Oprea1_862326AE-641/30102040CHEMBL1740393DTXSID401148837AKOS005067769
Database identifiers
- CAS
20500-21-4- PubChem CID
- 210787
- DTXSID
DTXSID401148837- ChEMBL
CHEMBL1740393
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 31.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 374
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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