Basic information
- CAS
121943-08-6- Standard SMILES
Cl.Cl.c1ccc(C(c2ccccc2)N2CCN(C3Cc4ccccc4Sc4ccccc43)CC2)cc1- InChIKey
SPWAHYAHNKOMBG-UHFFFAOYSA-N- Molecular formula
- C31H32Cl2N2S
- Average molar mass
- 535.6 g/mol
- Monoisotopic mass
- 534.1663256
Names & identifiers
- Preferred name
- Piperazine, 1-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(diphenylmethyl)-, dihydrochloride, hydrate
- IUPAC
- 1-benzhydryl-4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine;dihydrochloride
Names & synonyms
121943-08-6Piperazine, 1-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(diphenylmethyl)-, dihydrochloride, hydrateRefChem:371921DTXSID309240281-(10,11-Dihydrodibenzo[b,f]thiepin-10-yl)-4-(diphenylmethyl)piperazine--hydrogen chloride (1/2)
Database identifiers
- CAS
121943-08-6- PubChem CID
- 3078615
- DTXSID
DTXSID30924028
Properties
Computed structural properties
- Topological polar surface area
- 31.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 601
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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