Basic information
- Standard SMILES
c1ccc2c(c1)CSc1ccccc1C2=C1CCNCC1- InChIKey
FKURDRJQSAPTQZ-UHFFFAOYSA-N- Molecular formula
- C19H19NS
- Average molar mass
- 293.4 g/mol
Names & identifiers
- Preferred name
- 4-dibenzo[b,e]thiepin-11(6H)-ylidenepiperidine
- IUPAC
- 4-(6H-benzo[c][1]benzothiepin-11-ylidene)piperidine
Names & synonyms
Oprea1_637144SCHEMBL7299053FKURDRJQSAPTQZ-UHFFFAOYSA-N4-dibenzo[b,e]thiepin-11(6H)-ylidenepiperidineAE-641/401979174-(6,11-dihydrodibenzo[b,e]thiepin-11-ylidene)piperidine
Database identifiers
- PubChem CID
- 15077940
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 394
Related reactions
5 records
Compound notes
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