1-[10,11-Dihydro-8-(methylthio)dibenzo[b,f]thiepin-10-yl]-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine
Basic information
- CAS
39889-98-0- Standard SMILES
CSc1ccc2c(c1)C(N1CCN(CCC3OCCO3)CC1)Cc1ccccc1S2- InChIKey
BJWPYCBMSGGWGZ-UHFFFAOYSA-N- Molecular formula
- C24H30N2O2S2
- Average molar mass
- 442.6 g/mol
- Monoisotopic mass
- 442.17487055
Names & identifiers
- Preferred name
- 1-[10,11-Dihydro-8-(methylthio)dibenzo[b,f]thiepin-10-yl]-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine
- IUPAC
- 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
Names & synonyms
39889-98-01-[10,11-Dihydro-8-(methylthio)dibenzo[b,f]thiepin-10-yl]-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazineDTXSID001115321AKOS0050658921-[2-(1,3-dioxolan-2-yl)ethyl]-4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazineAE-641/006130091-[2-(1,3-dioxolan-2-yl)ethyl]-4-[8-(methylthio)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine
Database identifiers
- CAS
39889-98-0- PubChem CID
- 217909
- DTXSID
DTXSID001115321
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 539
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…