Basic information
- Standard SMILES
COCC[C@H]1CN(C2=Nc3cc(F)c(F)cc3Nc3sc(C)cc32)CCN1.Cl.Cl- InChIKey
XYSKJUUIOVFKRA-LTCKWSDVSA-N- Molecular formula
- C19H24Cl2F2N4OS
- Average molar mass
- 465.4 g/mol
- Monoisotopic mass
- 464.1015943
Names & identifiers
- Preferred name
- (S)-6,7-Difluoro-10-[3-(2-methoxy-ethyl)-piperazin-1-yl]-2-methyl-4H-3-thia-4,9-diaza-benzo[f]azulene dihydrochloride
- IUPAC
- 7,8-difluoro-4-[(3S)-3-(2-methoxyethyl)piperazin-1-yl]-2-methyl-10H-thieno[2,3-b][1,5]benzodiazepine;dihydrochloride
Names & synonyms
SCHEMBL4844325XYSKJUUIOVFKRA-LTCKWSDVSA-N(S)-6,7-Difluoro-10-[3-(2-methoxy-ethyl)-piperazin-1-yl]-2-methyl-4H-3-thia-4,9-diaza-benzo[f]azulene dihydrochloride
Database identifiers
- PubChem CID
- 136355246
Properties
Computed structural properties
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 554
Related reactions
1 records
Compound notes
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