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Basic information
- Standard SMILES
COc1cc(C(Nc2ccc(-c3noc(C)n3)cc2)C(=N)SC)cc2c1OCOC2- InChIKey
IEQWWFBZKQSJOL-UHFFFAOYSA-N- Molecular formula
- C21H22N4O4S
- Average molar mass
- 426.5 g/mol
Names & identifiers
- Preferred name
- 2-(8-methoxy-4H-benzo[1,3]dioxin-6-yl)-2-[4-(5-methyl-[1,2,4]oxadiazol-3-yl)phenylamino]thioacetimidic acid methyl ester
- IUPAC
- methyl 2-(8-methoxy-4H-1,3-benzodioxin-6-yl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]ethanimidothioate
Names & synonyms
SCHEMBL1619872IEQWWFBZKQSJOL-UHFFFAOYSA-N2-(8-methoxy-4H-benzo[1,3]dioxin-6-yl)-2-[4-(5-methyl-[1,2,4]oxadiazol-3-yl)phenylamino]thioacetimidic acid methyl ester
Database identifiers
- PubChem CID
- 59517331
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 577
Related reactions
8 records
Compound notes
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