7-(2,2,2-Trifluoro-ethoxy)-8-trifluoromethyl-4-[3-(2-trifluoromethyl-pyridin-4-yl)-phenyl]-1,3-dihydro-benzo[b][1,4]diazepin-2-one
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
O=C1CC(c2cccc(-c3ccnc(C(F)(F)F)c3)c2)=Nc2cc(OCC(F)(F)F)c(C(F)(F)F)cc2N1- InChIKey
QHTXFPCBJPPSDO-UHFFFAOYSA-N- Molecular formula
- C24H14F9N3O2
- Average molar mass
- 547.4 g/mol
Names & identifiers
- Preferred name
- 7-(2,2,2-Trifluoro-ethoxy)-8-trifluoromethyl-4-[3-(2-trifluoromethyl-pyridin-4-yl)-phenyl]-1,3-dihydro-benzo[b][1,4]diazepin-2-one
- IUPAC
- 7-(2,2,2-trifluoroethoxy)-8-(trifluoromethyl)-4-[3-[2-(trifluoromethyl)-4-pyridinyl]phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one
Names & synonyms
7-(2,2,2-Trifluoro-ethoxy)-8-trifluoromethyl-4-[3-(2-trifluoromethyl-pyridin-4-yl)-phenyl]-1,3-dihydro-benzo[b][1,4]diazepin-2-oneSCHEMBL5563942
Database identifiers
- PubChem CID
- 22317907
Properties
Computed structural propertiesFilling in
- XLogP
- 5.9
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 4
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 874
Related reactions
1 records
Compound notes
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