Basic information
- CAS
61326-04-3- Standard SMILES
Clc1cc2c(cc1Cl)Nc1cscc1C(N1CCNCC1)=N2- InChIKey
YOTKKISEHKPRLX-UHFFFAOYSA-N- Molecular formula
- C15H14Cl2N4S
- Average molar mass
- 353.3 g/mol
- Monoisotopic mass
- 352.031623
Names & identifiers
- Preferred name
- 4H-Thieno[3,4-b][1,5]benzodiazepine, 6,7-dichloro-10-(1-piperazinyl)-
- IUPAC
- 7,8-dichloro-4-piperazin-1-yl-10H-thieno[3,4-b][1,5]benzodiazepine
- English name
- 4H-Thieno3,4-b1,5benzodiazepine, 6,7-dichloro-10-(1-piperazinyl)-
- Molecular formula
- C15H14Cl2N4S
- Molecular weight
- 353.27
Names & synonyms
BRN 10328424H-Thieno(3,4-b)(1,5)benzodiazepine, 6,7-dichloro-10-(1-piperazinyl)-DTXSID702102356,7-Dichloro-10-(1-piperazinyl)-4H-thieno(3,4-b)(1,5)benzodiazepine4H-Thieno[3,4-b][1,5]benzodiazepine, 6,7-dichloro-10-(1-piperazinyl)-6,7-Dichloro-10-(1-piperazinyl)-4H-thieno[3,4-b][1,5]benzodiazepineRefChem:297966DTXCID701327264H-Thieno3,4-b1,5benzodiazepine, 6,7-dichloro-10-(1-piperazinyl)-61326-04-3CHEMBL171603SCHEMBL11530516
Show more names
YOTKKISEHKPRLX-UHFFFAOYSA-N6,7-Dichloro-10-(piperazin-1-yl)-4H-thieno[3,4-b][1,5]benzodiazepine
Database identifiers
- CAS
61326-04-3- PubChem CID
- 3045926
- DTXSID
DTXSID70210235- ChEMBL
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 443
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information4H-Thieno3,4-b1,5benzodiazepine, 6,7-dichloro-10-(1-piperazinyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Related reactions
0 records
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Compound notes
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