Basic information
- Standard SMILES
Cc1cc(C)c(-n2ccc3c(OCc4ccc(C(F)(F)F)cc4)nn(C)c(=O)c32)c(C)c1- InChIKey
PHLMMZURYGFOJZ-UHFFFAOYSA-N- Molecular formula
- C24H22F3N3O2
- Average molar mass
- 441.4 g/mol
- Monoisotopic mass
- 441.16641144
Names & identifiers
- Preferred name
- 1-Mesityl-6-methyl-4-[[4-(trifluoromethyl)benzyl]oxy]-1,6-dihydro-7H-pyrrolo[2,3-d]pyridazin-7-one
- IUPAC
- 6-methyl-4-[[4-(trifluoromethyl)phenyl]methoxy]-1-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyridazin-7-one
Names & synonyms
1-Mesityl-6-methyl-4-[[4-(trifluoromethyl)benzyl]oxy]-1,6-dihydro-7H-pyrrolo[2,3-d]pyridazin-7-oneSCHEMBL2069993
Database identifiers
- PubChem CID
- 58938540
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 46.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 708
Related reactions
2 records
Compound notes
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