Basic information
- CAS
78110-19-7- Standard SMILES
CSc1ccc2c(c1)N(C)c1ccccc1C(=O)N2CC[NH+](C)C.[Cl-]- InChIKey
YSNBGPBROFQBRJ-UHFFFAOYSA-N- Molecular formula
- C19H24ClN3OS
- Average molar mass
- 377.9 g/mol
- Monoisotopic mass
- 377.1328613
Names & identifiers
- Preferred name
- 5H-Dibenzo(b,e)(1,4)diazepin-11-one, 10,11-dihydro-10-(2-(dimethylamino)ethyl)-5-methyl-7-methylthio-, hydrochloride
- IUPAC
- dimethyl-[2-(11-methyl-2-methylsulfanyl-6-oxobenzo[b][1,4]benzodiazepin-5-yl)ethyl]azanium chloride
Names & synonyms
78110-19-75H-Dibenzo(b,e)(1,4)diazepin-11-one, 10,11-dihydro-10-(2-(dimethylamino)ethyl)-5-methyl-7-methylthio-, hydrochlorideRefChem:305600
Database identifiers
- CAS
78110-19-7- PubChem CID
- 54101
Properties
Computed structural properties
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 444
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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