Basic information
- CAS
58913-13-6- Standard SMILES
CSc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccc(F)cc1S2- InChIKey
WXERULFFOFICFF-UHFFFAOYSA-N- Molecular formula
- C20H23FN2S2
- Average molar mass
- 374.5 g/mol
Names & identifiers
- Preferred name
- 1-(9-Fluoro-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine
- IUPAC
- 1-(9-fluoro-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine
- English name
- 7-fluoro-11-(4-methyl-1-piperazinyl)-10,11-dihydrodibenzo[b,f]thiepin-2-yl methyl sulfide
- Molecular formula
- C20H23FN2S2
- Molecular weight
- 374.5384232
Names & synonyms
7-fluoro-11-(4-methyl-1-piperazinyl)-10,11-dihydrodibenzo[b,f]thiepin-2-yl methyl sulfideOprea1_749115AE-641/30114046CHEMBL1621706SCHEMBL18310351AKOS0050656931-(9-fluoro-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine
Database identifiers
- CAS
58913-13-6- ChEMBL
CHEMBL1621706
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 57.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 443
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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