9-(4-methoxyphenyl)-6-(2-propoxyphenyl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Basic information
- CAS
6046-31-7- Standard SMILES
CCCOc1ccccc1C1C2=C(CC(c3ccc(OC)cc3)CC2=O)Nc2ccccc2N1C(=O)C(F)(F)F- InChIKey
ZBTVEZAYTNGJOI-UHFFFAOYSA-N- Molecular formula
- C31H29F3N2O4
- Average molar mass
- 550.6 g/mol
- Monoisotopic mass
- 550.2079419
Names & identifiers
- Preferred name
- 9-(4-methoxyphenyl)-6-(2-propoxyphenyl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
- IUPAC
- 9-(4-methoxyphenyl)-6-(2-propoxyphenyl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Names & synonyms
STK7418576046-31-73-(4-methoxyphenyl)-11-(2-propoxyphenyl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one9-(4-methoxyphenyl)-6-(2-propoxyphenyl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-oneDTXSID30387154AKOS0055243953-(4-methoxyphenyl)-11-(2-propoxyphenyl)-10-(2,2,2-trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Database identifiers
- CAS
6046-31-7- PubChem CID
- 2882402
- DTXSID
DTXSID30387154
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 945
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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