Basic information
- Standard SMILES
CCN(CC)CCN1CCc2[nH]c(C=C3C(=O)Nc4ccc(F)cc43)c(CBr)c2C1=O- InChIKey
AMYUNMSJMXPIHZ-UHFFFAOYSA-N- Molecular formula
- C23H26BrFN4O2
- Average molar mass
- 489.4 g/mol
Names & identifiers
- Preferred name
- 3-Bromomethyl-5-(2-diethylamino-ethyl)-2-(5-fluoro-2-oxo-1,2-dihydro-indol-3-ylidenemethyl)-1,5,6,7-tetrahydro-pyrrolo[3,2-c]pyridin-4-one
- IUPAC
- 3-(bromomethyl)-5-[2-(diethylamino)ethyl]-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
Names & synonyms
SCHEMBL155463AMYUNMSJMXPIHZ-UHFFFAOYSA-N3-bromomethyl-5-(2-diethylamino-ethyl)-2-(5-fluoro-2-oxo-1,2-dihydro-indol-3-ylidenemethyl)-1,5,6,7-tetrahydro-pyrrolo[3,2-c]pyridin-4-one
Database identifiers
- PubChem CID
- 66608279
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 716
Related reactions
3 records
Compound notes
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