Basic information
- CAS
121943-13-3- Standard SMILES
CSc1ccc2c(c1)C(N1CCN(C(c3ccccc3)c3ccccc3)CC1)Cc1ccccc1S2.Cl.Cl- InChIKey
MRFDQDPODLFFAP-UHFFFAOYSA-N- Molecular formula
- C32H34Cl2N2S2
- Average molar mass
- 581.7 g/mol
- Monoisotopic mass
- 580.1540468
Names & identifiers
- Preferred name
- Piperazine, 1-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-4-(diphenylmethyl)-, dihydrochloride
- IUPAC
- 1-benzhydryl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine;dihydrochloride
Names & synonyms
121943-13-3Piperazine, 1-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-4-(diphenylmethyl)-, dihydrochlorideRefChem:371910DTXSID209240321-(Diphenylmethyl)-4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine--hydrogen chloride (1/2)
Database identifiers
- CAS
121943-13-3- PubChem CID
- 3078621
- DTXSID
DTXSID20924032
Properties
Computed structural properties
- Topological polar surface area
- 57.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 649
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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