Basic information
- Standard SMILES
CC(C)Cn1c(SCc2noc(-c3cccc(Cl)c3)n2)nnc1-c1ccco1- InChIKey
MASGDNDSEABKTH-UHFFFAOYSA-N- Molecular formula
- C19H18ClN5O2S
- Average molar mass
- 415.9 g/mol
Names & identifiers
- Preferred name
- 5-(3-Chloro-phenyl)-3-(5-furan-2-yl-4-isobutyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-[1,2,4]oxadiazole
- IUPAC
- 5-(3-chlorophenyl)-3-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
Names & synonyms
SCHEMBL1544720MASGDNDSEABKTH-UHFFFAOYSA-N5-(3-Chloro-phenyl)-3-(5-furan-2-yl-4-isobutyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-[1,2,4]oxadiazole
Database identifiers
- PubChem CID
- 67070880
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 505
Related reactions
2 records
Compound notes
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