Basic information
- Standard SMILES
Cc1c(C(=O)N2CC(C)NC(C)C2)c[nH]c1C=C1C(=O)Nc2cccc(-c3cccc(C(F)(F)F)c3)c21- InChIKey
DFWFZVKBEXJMOJ-UHFFFAOYSA-N- Molecular formula
- C28H27F3N4O2
- Average molar mass
- 508.5 g/mol
- Monoisotopic mass
- 508.2086106
Names & identifiers
- Preferred name
- 3-[[4-(3,5-dimethylpiperazine-1-carbonyl)-3-methyl-1H-pyrrol-2-yl]methylidene]-4-[3-(trifluoromethyl)phenyl]-1H-indol-2-one
- IUPAC
- 3-[[4-(3,5-dimethylpiperazine-1-carbonyl)-3-methyl-1H-pyrrol-2-yl]methylidene]-4-[3-(trifluoromethyl)phenyl]-1H-indol-2-one
Names & synonyms
SCHEMBL6319836
Database identifiers
- PubChem CID
- 69740768
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 77.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 898
Related reactions
1 records
Compound notes
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