Basic information
- Standard SMILES
O=c1nc(NCc2ccccc2)n2c3c1cnn3C(c1cccc(C(F)(F)F)c1)=CC2- InChIKey
HXXZARJXUJEWCO-UHFFFAOYSA-N- Molecular formula
- C22H16F3N5O
- Average molar mass
- 423.4 g/mol
Names & identifiers
- Preferred name
- 5-[(Phenylmethyl)amino)-8-[3-(trifluoromethyl)phenyl]-3H,6H-1,4,5a,8a-tetraazaacenaphthylen-3-one
- IUPAC
- 7-(benzylamino)-11-[3-(trifluoromethyl)phenyl]-1,2,6,8-tetrazatricyclo[6.3.1.04,12]dodeca-2,4(12),6,10-tetraen-5-one
Names & synonyms
5-[(Phenylmethyl)amino)-8-[3-(trifluoromethyl)phenyl]-3H,6H-1,4,5a,8a-tetraazaacenaphthylen-3-oneSCHEMBL9566914
Database identifiers
- PubChem CID
- 21223949
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 62.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 761
Related reactions
1 records
Compound notes
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