Basic information
- Standard SMILES
CSC(C)CCCc1cnn(Cc2ccccc2)c(=O)c1OC(C)C- InChIKey
CCOUBNQRBMFQEZ-UHFFFAOYSA-N- Molecular formula
- C20H28N2O2S
- Average molar mass
- 360.5 g/mol
- Monoisotopic mass
- 360.18714931
Names & identifiers
- Preferred name
- 2-benzyl-4-(2-propoxy)-5-[4-(methylthio)pentyl]-3(2H)-pyridazinone
- IUPAC
- 2-benzyl-5-(4-methylsulfanylpentyl)-4-propan-2-yloxypyridazin-3-one
Names & synonyms
SCHEMBL4186900CCOUBNQRBMFQEZ-UHFFFAOYSA-N2-benzyl-4-(2-propoxy)-5-[4-(methylthio)pentyl]-3(2H)-pyridazinone
Database identifiers
- PubChem CID
- 53714166
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 496
Related reactions
2 records
Compound notes
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