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Basic information
- Standard SMILES
Cc1c(C(=O)N2C[C@@H](C)N[C@@H](C)C2)c[nH]c1C=C1C(=O)Nc2cccc(-c3ccc(F)cc3)c21- InChIKey
SFOHCTJMPGNFNL-IYBDPMFKSA-N- Molecular formula
- C27H27FN4O2
- Average molar mass
- 458.5 g/mol
- Monoisotopic mass
- 458.21180428
Names & identifiers
- Preferred name
- 3-{4-((cis)-3,5-dimethyl-piperazine-1-carbonyl]-3-methyl-1H-pyrrol-2-ylmethylene}-4-(4-fluoro-phenyl)-1,3-dihydro-indol-2-one
- IUPAC
- 3-[[4-[(3S,5R)-3,5-dimethylpiperazine-1-carbonyl]-3-methyl-1H-pyrrol-2-yl]methylidene]-4-(4-fluorophenyl)-1H-indol-2-one
Names & synonyms
SCHEMBL6320404SFOHCTJMPGNFNL-IYBDPMFKSA-N3-{4-((cis)-3,5-dimethyl-piperazine-1-carbonyl]-3-methyl-1H-pyrrol-2-ylmethylene}-4-(4-fluoro-phenyl)-1,3-dihydro-indol-2-one
Database identifiers
- PubChem CID
- 69740992
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 77.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 800
Related reactions
2 records
Compound notes
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