4-Butoxy-N-[[4-(3,4-dichlorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl]methyl]benzamide
Basic information
- CAS
389070-78-4- Standard SMILES
CCCCOc1ccc(C(=O)NCc2nnc(SC)n2-c2ccc(Cl)c(Cl)c2)cc1- InChIKey
YGGKMQRUQSDGIJ-UHFFFAOYSA-N- Molecular formula
- C21H22Cl2N4O2S
- Average molar mass
- 465.4 g/mol
- Monoisotopic mass
- 464.0840525
Names & identifiers
- Preferred name
- 4-Butoxy-N-[[4-(3,4-dichlorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl]methyl]benzamide
- IUPAC
- 4-butoxy-N-[[4-(3,4-dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
Names & synonyms
4-Butoxy-N-[[4-(3,4-dichlorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl]methyl]benzamide4-butoxy-N-((4-(3,4-dichlorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)benzamideDTXSID801122841389070-78-4F0507-29054-Butoxy-N-{[4-(3,4-dichlorophenyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Database identifiers
- CAS
389070-78-4- PubChem CID
- 4454431
- DTXSID
DTXSID801122841
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 539
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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