Basic information
- Standard SMILES
CCC(C)SC(=N)N1Cc2ccccc2-c2ccccc2C1- InChIKey
KYGPRLLMUAFFFF-UHFFFAOYSA-N- Molecular formula
- C19H22N2S
- Average molar mass
- 310.5 g/mol
Names & identifiers
- Preferred name
- 2-butyl 5,7-dihydro-6H-dibenz[c,e]azepine-6-thiocarboximidate
- IUPAC
- butan-2-yl 5,7-dihydrobenzo[d][2]benzazepine-6-carboximidothioate
Names & synonyms
SCHEMBL9705527KYGPRLLMUAFFFF-UHFFFAOYSA-N2-butyl 5,7-dihydro-6H-dibenz[c,e]azepine-6-thiocarboximidate
Database identifiers
- PubChem CID
- 20041715
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 52.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 360
Related reactions
2 records
Compound notes
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