Basic information
- Standard SMILES
CCn1c(=O)c2cnn3c2n(c1=O)CC=C3c1cccc(C(F)(F)F)c1- InChIKey
AZZIFNKFWZSUCQ-UHFFFAOYSA-N- Molecular formula
- C17H13F3N4O2
- Average molar mass
- 362.31 g/mol
Names & identifiers
- Preferred name
- 4-Ethyl-8-(3-(trifluoromethyl)phenyl)-3H,6H-1,4,5a,8a-tetraazaacenaphthylene-3,5(4H)-dione
- IUPAC
- 6-ethyl-11-[3-(trifluoromethyl)phenyl]-1,2,6,8-tetrazatricyclo[6.3.1.04,12]dodeca-2,4(12),10-triene-5,7-dione
Names & synonyms
4-Ethyl-8-(3-(trifluoromethyl)phenyl)-3H,6H-1,4,5a,8a-tetraazaacenaphthylene-3,5(4H)-dioneSCHEMBL8798593
Database identifiers
- PubChem CID
- 20058375
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 650
Related reactions
2 records
Compound notes
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