Basic information
- CAS
6090-23-9- Standard SMILES
O=C1CC(c2ccccc2)CC2=C1C(c1ccco1)Nc1ccccc1N2- InChIKey
KUWZVOVLTONVDL-UHFFFAOYSA-N- Molecular formula
- C23H20N2O2
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.15247789
Names & identifiers
- Preferred name
- 6-(Furan-2-yl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
- IUPAC
- 6-(furan-2-yl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Names & synonyms
6090-23-9312626-60-111-(furan-2-yl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-oneAK-968/41018855MFCD001700786-(furan-2-yl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-oneCBMicro_044988Oprea1_210827DTXSID10387278MMA62660STK052055AKOS003795026
Show more names
2,10-diaza-9-(2-furyl)-5-phenyltricyclo[9.4.0.0<3,8>]pentadeca-1(11),3(8),12,14-tetraen-7-oneMS-11194BIM-0045097.P001SR-01000434230SR-01000434230-111-(2-furyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one6-(2-furyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one10-(furan-2-yl)-14-phenyl-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6-tetraen-12-one
Database identifiers
- CAS
6090-23-9- PubChem CID
- 2885481
- DTXSID
DTXSID10387278
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 54.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 595
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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