4H-Thieno(3,4-b)(1,5)benzodiazepine, 7-fluoro-10-(1-piperazinyl)-
Basic information
- CAS
61326-07-6- Standard SMILES
Fc1ccc2c(c1)N=C(N1CCNCC1)c1cscc1N2- InChIKey
KCDNCLYFJGYPTF-UHFFFAOYSA-N- Molecular formula
- C15H15FN4S
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.10014583
Names & identifiers
- Preferred name
- 4H-Thieno(3,4-b)(1,5)benzodiazepine, 7-fluoro-10-(1-piperazinyl)-
- IUPAC
- 7-fluoro-4-piperazin-1-yl-10H-thieno[3,4-b][1,5]benzodiazepine
Names & synonyms
BRN 10275124H-Thieno(3,4-b)(1,5)benzodiazepine, 7-fluoro-10-(1-piperazinyl)-61326-07-6DTXSID902102377-Fluoro-10-(1-piperazinyl)-4H-thieno(3,4-b)(1,5)benzodiazepineRefChem:297970DTXCID90132728CHEMBL170849SCHEMBL115296157-Fluoro-10-(piperazin-1-yl)-4H-thieno[3,4-b][1,5]benzodiazepine
Database identifiers
- CAS
61326-07-6- PubChem CID
- 3045929
- DTXSID
DTXSID90210237- ChEMBL
CHEMBL170849
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 412
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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