Basic information
- Standard SMILES
CSc1nc(=O)c2cnn3c2n1CC=C3c1cccc(C(F)(F)F)c1- InChIKey
NKSUHGWUDGKGKC-UHFFFAOYSA-N- Molecular formula
- C16H11F3N4OS
- Average molar mass
- 364.3 g/mol
Names & identifiers
- Preferred name
- 5-(Methylthio)-8-(3-(trifluoromethyl)phenyl)-3H,6H-1,4,5a,8a-tetraazaacenaphthylen-3-one
- IUPAC
- 7-methylsulfanyl-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-(Methylthio)-8-(3-(trifluoromethyl)phenyl)-3H,6H-1,4,5a,8a-tetraazaacenaphthylen-3-one5-(Methylthio)-8-[3-(trifluoromethyl)phenyl]-3H,6H-1,4,5a,8a-tetraazaacenaphthylen-3-oneSCHEMBL8339617
Database identifiers
- PubChem CID
- 9885399
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 75.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 635
Related reactions
9 records
Linked notes
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