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Basic information
- Standard SMILES
COCC[C@H]1CN(C2=Nc3cc(C(F)(F)F)ccc3Nc3sc4ccccc4c32)CCN1.Cl.Cl- InChIKey
BPGOYRYVUSDTMD-CKUXDGONSA-N- Molecular formula
- C23H25Cl2F3N4OS
- Average molar mass
- 533.4 g/mol
- Monoisotopic mass
- 532.1078225
Names & identifiers
- Preferred name
- (S)-5-[3-(2-Methoxy-ethyl)-piperazin-1-yl]-8-trifluoromethyl-11H-12-thia-6,11-diaza-dibenzo[a,f]azulene dihydrochloride
- IUPAC
- 12-[(3S)-3-(2-methoxyethyl)piperazin-1-yl]-9-(trifluoromethyl)-6H-[1]benzothiolo[2,3-b][1,5]benzodiazepine;dihydrochloride
Names & synonyms
(S)-5-[3-(2-Methoxy-ethyl)-piperazin-1-yl]-8-trifluoromethyl-11H-12-thia-6,11-diaza-dibenzo[a,f]azulene dihydrochlorideSCHEMBL4844575JIVOZFUITQZTPI-CKUXDGONSA-N
Database identifiers
- PubChem CID
- 136384239
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 693
Related reactions
1 records
Compound notes
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