1-(2-Butenyl)-7-(2,4-dichlorobenzylthio)-2,3-dimethylpyrrolo[2,3-d]pyridazine
Basic information
- Standard SMILES
CC=CCn1c(C)c(C)c2cnnc(SCc3ccc(Cl)cc3Cl)c21- InChIKey
WJUANEKTERTAKV-UHFFFAOYSA-N- Molecular formula
- C19H19Cl2N3S
- Average molar mass
- 392.3 g/mol
Names & identifiers
- Preferred name
- 1-(2-Butenyl)-7-(2,4-dichlorobenzylthio)-2,3-dimethylpyrrolo[2,3-d]pyridazine
- IUPAC
- 1-but-2-enyl-7-[(2,4-dichlorophenyl)methylsulfanyl]-2,3-dimethylpyrrolo[2,3-d]pyridazine
Names & synonyms
SCHEMBL7477772WJUANEKTERTAKV-UHFFFAOYSA-N1-(2-Butenyl)-7-(2,4-dichlorobenzylthio)-2,3-dimethylpyrrolo[2,3-d]pyridazine
Database identifiers
- PubChem CID
- 70104232
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 56 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 464
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Related reactions
1 records
Compound notes
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