3-chloro-6-(2,5-dimethylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine

HCID 135524890
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Basic information

Standard SMILES
CC1CN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)C(C)CN1
InChIKey
LFTLMFJGYYAQGL-UHFFFAOYSA-N
Molecular formula
C19H21ClN4
Average molar mass
340.8 g/mol

Names & identifiers

Preferred name
3-chloro-6-(2,5-dimethylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine
IUPAC
3-chloro-6-(2,5-dimethylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine

Names & synonyms

SCHEMBL3414284

Database identifiers

PubChem CID
135524890

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
39.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
24

Related reactions

1 records
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Linked notes

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