2-[4-(4,6-Bis-trichloromethyl-s-triazin-2-yl)benzoylmethylene]-1-methyl-1,2-dihydroquinoline
Basic information
- Standard SMILES
CN1C(=CC(=O)c2ccc(-c3nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n3)cc2)C=Cc2ccccc21- InChIKey
QOBOERBTGBDIFI-UHFFFAOYSA-N- Molecular formula
- C23H14Cl6N4O
- Average molar mass
- 575.1 g/mol
- Monoisotopic mass
- 571.929877
Names & identifiers
- Preferred name
- 2-[4-(4,6-Bis-trichloromethyl-s-triazin-2-yl)benzoylmethylene]-1-methyl-1,2-dihydroquinoline
- IUPAC
- 1-[4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]phenyl]-2-(1-methylquinolin-2-ylidene)ethanone
Names & synonyms
SCHEMBL9531567QOBOERBTGBDIFI-UHFFFAOYSA-N2-[4-(4,6-bis-trichloromethyl-s-triazin-2-yl)benzoylmethylene]-1-methyl-1,2-dihydroquinoline
Database identifiers
- PubChem CID
- 86745142
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 780
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Related reactions
1 records
Compound notes
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