Basic information
- Standard SMILES
CN1CCN(C2=Nc3ccccc3-n3ccc4cc(Cl)cc2c43)CC1- InChIKey
XXLIFYXIBCWZDL-UHFFFAOYSA-N- Molecular formula
- C20H19ClN4
- Average molar mass
- 350.8 g/mol
Names & identifiers
- Preferred name
- 4-Chloro-6-(4-methyl-1-piperazinyl)benzo[b]pyrrolo[3,2,1-jk]-[1,4]benzodiazepine
- IUPAC
- 12-chloro-9-(4-methylpiperazin-1-yl)-1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,8,10(17),11,13,15-octaene
Names & synonyms
SCHEMBL10621387XXLIFYXIBCWZDL-UHFFFAOYSA-N4-Chloro-6-(4-methyl-1-piperazinyl)benzo[b]pyrrolo[3,2,1-jk]-[1,4]benzodiazepine4-Chloro-6-(4-methyl-1-piperazinyl)benzo[b]pyrrolo[3,2,1-jk][1,4]benzodiazepine
Database identifiers
- PubChem CID
- 13823301
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 530
Related reactions
5 records
Linked notes
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