Basic information
- Standard SMILES
O=C(c1cccnn1)N1CCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2C1- InChIKey
QGLRQDBKALACJO-UHFFFAOYSA-N- Molecular formula
- C21H16F3N3O
- Average molar mass
- 383.4 g/mol
Names & identifiers
- Preferred name
- Pyridazin-3-yl(7-(4-(trifluoromethyl)phenyl)-3,4-dihydroisoquinolin-2(1H)-yl)methanone
- IUPAC
- pyridazin-3-yl-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
Names & synonyms
Pyridazin-3-yl(7-(4-(trifluoromethyl)phenyl)-3,4-dihydroisoquinolin-2(1H)-yl)methanoneSCHEMBL13717535Pyridazin-3-yl(7-(4-(trifluoromethyl)phenyl)-3,4-dihydroisoquinolin-2 (1H)-yl) methanonePyridazin-3-yl(7-(4-(trifluoromethyl)phenyl)-3,4-dihydroisoquinolin-2(1H)-yl) methanone
Database identifiers
- PubChem CID
- 70974688
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 46.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 548
Related reactions
2 records
Compound notes
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