Basic information
- Standard SMILES
COc1ccc2c(c1)CCc1c(C#N)cccc1S2- InChIKey
DYWJUVVJHFLKGK-UHFFFAOYSA-N- Molecular formula
- C16H13NOS
- Average molar mass
- 267.3 g/mol
Names & identifiers
- Preferred name
- 2-Methoxy-9-cyano-10,11-dihydrodibenzo[b,f]thiepin
- IUPAC
- 3-methoxy-5,6-dihydrobenzo[b][1]benzothiepine-7-carbonitrile
Names & synonyms
SCHEMBL11434292DYWJUVVJHFLKGK-UHFFFAOYSA-N2-methoxy-9-cyano-10,11-dihydrodibenzo[ b,f]thiepin2-methoxy-9-cyano-10,11-dihydrodibenzo[b,f]thiepin
Database identifiers
- PubChem CID
- 23337048
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 363
Related reactions
9 records
Compound notes
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