Basic information
- CAS
68179-87-3- Standard SMILES
CS(=O)c1ccc2c(c1)N(C(N)=O)c1ccccc1C=C2- InChIKey
YSPKFOROCQXULW-UHFFFAOYSA-N- Molecular formula
- C16H14N2O2S
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.07759887
Names & identifiers
- Preferred name
- 3-(Methylsulfinyl)-5H-dibenz[b,f]azepine-5-carboxamide
- IUPAC
- 2-methylsulfinylbenzo[b][1]benzazepine-11-carboxamide
Names & synonyms
DTXSID8012108363-(Methylsulfinyl)-5H-dibenz[b,f]azepine-5-carboxamide3-(Methanesulfinyl)-5H-dibenzo[b,f]azepine-5-carboxamide68179-87-3
Database identifiers
- CAS
68179-87-3- PubChem CID
- 165355756
- DTXSID
DTXSID801210836
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 465
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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