1-Piperazineethanol, alpha-(4-chlorophenyl)-4-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-, monohydrochloride

HCID 3074375

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 156810-11-6
Standard SMILES: Cl.OC(CN1CCN(C2c3ccccc3CSc3ccccc32)CC1)c1ccc(Cl)cc1
InChIKey: HWONSLCHYVWWRC-UHFFFAOYSA-N
Molecular formula: C26H28Cl2N2OS
Average molar mass: 487.5 g/mol
Monoisotopic mass: 486.1299401

Names & identifiers

Preferred name: 1-Piperazineethanol, alpha-(4-chlorophenyl)-4-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-, monohydrochloride
IUPAC: 1-(4-chlorophenyl)-2-[4-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)piperazin-1-yl]ethanol;hydrochloride

Names & synonyms

1-(4-Chlorophenyl)-2-(4-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)piperazine-1-yl)ethanol HCl156810-11-61-Piperazineethanol, alpha-(4-chlorophenyl)-4-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-, monohydrochlorideRefChem:233949DTXSID10935536AKOS0244263191-(4-Chlorophenyl)-2-[4-(6,11-dihydrodibenzo[b,e]thiepin-11-yl)piperazin-1-yl]ethan-1-ol--hydrogen chloride (1/1)

Database identifiers

CAS: 156810-11-6
PubChem CID: 3074375
DTXSID: DTXSID10935536

Properties

Computed structural properties

Topological polar surface area: 52 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 32
Formal charge: 0
Complexity: 564

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…