Basic information
- CAS
121943-11-1- Standard SMILES
Cl.Cl.Clc1ccc2c(c1)C(N1CCN(C(c3ccccc3)c3ccccc3)CC1)Cc1ccccc1S2- InChIKey
SAFABGBFYCEJGT-UHFFFAOYSA-N- Molecular formula
- C31H31Cl3N2S
- Average molar mass
- 570 g/mol
- Monoisotopic mass
- 568.127353
Names & identifiers
- Preferred name
- Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(diphenylmethyl)-, hydrochloride, hydrate (2:4:1)
- IUPAC
- 1-benzhydryl-4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine;dihydrochloride
Names & synonyms
1-Benzhydryl-4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)piperazine 2HCl hemihydrate121943-11-1Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(diphenylmethyl)-, hydrochloride, hydrate (2:4:1)RefChem:372443DTXSID609240311-(8-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-(diphenylmethyl)piperazine--hydrogen chloride (1/2)
Database identifiers
- CAS
121943-11-1- PubChem CID
- 3078619
- DTXSID
DTXSID60924031
Properties
Computed structural properties
- Topological polar surface area
- 31.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 636
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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