Basic information
- Standard SMILES
C1=NSc2ccccc2-c2c1cccc2N1CCNCC1- InChIKey
AQFAXYGURHOSPN-UHFFFAOYSA-N- Molecular formula
- C17H17N3S
- Average molar mass
- 295.4 g/mol
Names & identifiers
- Preferred name
- 11-Piperazinyl-dibenzothiazepine
- IUPAC
- 11-piperazin-1-ylbenzo[d][1,2]benzothiazepine
Names & synonyms
SCHEMBL319797211-piperazinyl-dibenzothiazepineAQFAXYGURHOSPN-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 68546455
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 380
Related reactions
4 records
Compound notes
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