Basic information
- CAS
257891-57-9- Standard SMILES
CC(C)=CCN1Cc2cc(C(F)(F)F)cc3[nH]c(=O)n(c23)CC1C- InChIKey
FUPAUDMVZGXFKG-UHFFFAOYSA-N- Molecular formula
- C17H20F3N3O
- Average molar mass
- 339.35 g/mol
- Monoisotopic mass
- 339.15584676
Names & identifiers
- Preferred name
- Imidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one, 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)-trien-2-one
Names & synonyms
257891-57-9Imidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one, 4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-9-(trifluoromethyl)-methyl-(3-methylbut-2-enyl)-(trifluoromethyl)[?]oneImidazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-one, 4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-9-(trifluoromethyl)-DTXSID20948672(+)-(S)-4,5,6,7-Tetrahydro-5-methyl-9-(trifluromethyl)imdazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-one5-Methyl-6-(3-methylbut-2-en-1-yl)-9-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepin-2-ol
Database identifiers
- CAS
257891-57-9- PubChem CID
- 460873
- DTXSID
DTXSID20948672
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 35.6 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
Loading…