5H-Dibenz(b,f)azepine, 8-(ethylsulfonyl)-10-(2-(methylamino)ethyl)-5-methyl-
Basic information
- CAS
52813-96-4- Standard SMILES
CCS(=O)(=O)c1ccc2c(c1)C(CCNC)=Cc1ccccc1N2C- InChIKey
NDKTZWQDILBKGC-UHFFFAOYSA-N- Molecular formula
- C20H24N2O2S
- Average molar mass
- 356.5 g/mol
- Monoisotopic mass
- 356.15584919
Names & identifiers
- Preferred name
- 5H-Dibenz(b,f)azepine, 8-(ethylsulfonyl)-10-(2-(methylamino)ethyl)-5-methyl-
- IUPAC
- 2-(3-ethylsulfonyl-11-methylbenzo[b][1]benzazepin-5-yl)-N-methylethanamine
Names & synonyms
BRN 04521995H-Dibenz(b,f)azepine, 8-(ethylsulfonyl)-10-(2-(methylamino)ethyl)-5-methyl-52813-96-4DTXSID502007905H-Dibenz(b,f)azepine-10-ethanamine, N,5-dimethyl-8-(ethylsulfonyl)-2-Ethylsulfonyl-5-methyl-11-(beta-methylaminoethyl)-(5H)-dibenzo(b,f)azepine8-(Ethylsulfonyl)-10-(2-(methylamino)ethyl)-5-methyl-5H-dibenz(b,f)azepine2-Aethylsulfonyl-5-methyl-11-(beta-methylaminoaethyl)-(5H)-dibenzo(b,f)azepin [German]2-Aethylsulfonyl-5-methyl-11-(beta-methylaminoaethyl)-(5H)-dibenzo(b,f)azepinRefChem:305447DTXCID801232812-[8-(Ethanesulfonyl)-5-methyl-5H-dibenzo[b,f]azepin-10-yl]-N-methylethan-1-amine
Database identifiers
- CAS
52813-96-4- PubChem CID
- 3040673
- DTXSID
DTXSID50200790- Nikkaji
- J74.744K
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 581
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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