Basic information
- Standard SMILES
Cc1cc(C)c(C=C2C(=O)Nc3cccc(-c4ccc(Br)cc4)c32)[nH]1- InChIKey
ZGDGCSRLNWEWRH-UHFFFAOYSA-N- Molecular formula
- C21H17BrN2O
- Average molar mass
- 393.3 g/mol
Names & identifiers
- Preferred name
- 3-(3,5-Dimethyl-1H-pyrrol-2-ylmethylene)-4-(4-bromo-phenyl)-1,3-dihydro-indol-2-one
- IUPAC
- 4-(4-bromophenyl)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
Names & synonyms
SCHEMBL6320744ZGDGCSRLNWEWRH-UHFFFAOYSA-N3-(3,5-Dimethyl-1H-pyrrol-2-ylmethylene)-4-(4-bromo-phenyl)-1,3-dihydro-indol-2-one
Database identifiers
- PubChem CID
- 69741107
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 44.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 540
Related reactions
2 records
Compound notes
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