Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-9-(trifluoromethyl)-
Basic information
- CAS
257891-73-9- Standard SMILES
CC(C)=CCN1Cc2cc(C(F)(F)F)cc3[nH]c(=S)n(c23)CC1C- InChIKey
IOGYPSYQXAJPDC-UHFFFAOYSA-N- Molecular formula
- C17H20F3N3S
- Average molar mass
- 355.4 g/mol
- Monoisotopic mass
- 355.13300331
Names & identifiers
- Preferred name
- Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-9-(trifluoromethyl)-
- IUPAC
- 11-methyl-10-(3-methylbut-2-enyl)-6-(trifluoromethyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2-thione
Names & synonyms
257891-73-9Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-9-(trifluoromethyl)-methyl-(3-methylbut-2-enyl)-(trifluoromethyl)[?]thioneImidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione, 4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-9-(trifluoromethyl)-DTXSID50948685(+)-(S)-4,5,6,7-Tetrahydro-5-methyl-9-(trifluromethyl)imdazo[4,5,1-jk][1,4]benzodiazepin-2(1H)thione5-Methyl-6-(3-methylbut-2-en-1-yl)-9-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepine-2-thiol
Database identifiers
- CAS
257891-73-9- PubChem CID
- 3000852
- DTXSID
DTXSID50948685
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 530
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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