Basic information
- Standard SMILES
COc1cc[nH]c1/C=C1\C(=O)Nc2ccc(F)c(C#C[C@@H](C)O)c21- InChIKey
DJEJXDSNSASKPZ-WJEYQPDNSA-N- Molecular formula
- C18H15FN2O3
- Average molar mass
- 326.3 g/mol
- Monoisotopic mass
- 326.10667051
Names & identifiers
- Preferred name
- (3Z)-5-fluoro-4-[(3R)-3-hydroxybut-1-yn-1-yl]-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2,3-dihydro-1H-indol-2-one
- IUPAC
- (3Z)-5-fluoro-4-[(3R)-3-hydroxybut-1-ynyl]-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
Names & synonyms
4-alkynyl oxindole 7bCHEMBL169591SCHEMBL6968629BDBM10096DJEJXDSNSASKPZ-WJEYQPDNSA-N(3Z)-5-fluoro-4-[(3R)-3-hydroxybut-1-yn-1-yl]-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2,3-dihydro-1H-indol-2-one(r)-(z)-1,3-dihydro-5-fluoro-4-(3-hydroxy-1-butynyl)-3-[(3-methoxy-1h-pyrrol-2-yl)methylene]-2h-indol-2-one
Database identifiers
- PubChem CID
- 23645071
- ChEMBL
CHEMBL169591
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 74.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 594
Related reactions
3 records
Compound notes
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