3-(3-{(3,4-Dimethoxyphenyl)-[4-(5-methyl-[1,2,4]oxadiazol-3-yl)phenylamino]methyl}-5-oxo-4,5-dihydro-[1,2,4]triazol-1-yl)thiophene-2-carboxylic acid
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
COc1ccc(C(Nc2ccc(-c3noc(C)n3)cc2)c2nn(-c3ccsc3C(=O)O)c(=O)[nH]2)cc1OC- InChIKey
LDNQODARMBGGKB-UHFFFAOYSA-N- Molecular formula
- C25H22N6O6S
- Average molar mass
- 534.5 g/mol
Names & identifiers
- Preferred name
- 3-(3-{(3,4-Dimethoxyphenyl)-[4-(5-methyl-[1,2,4]oxadiazol-3-yl)phenylamino]methyl}-5-oxo-4,5-dihydro-[1,2,4]triazol-1-yl)thiophene-2-carboxylic acid
- IUPAC
- 3-[3-[(3,4-dimethoxyphenyl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]methyl]-5-oxo-4H-1,2,4-triazol-1-yl]thiophene-2-carboxylic acid
Names & synonyms
SCHEMBL1620819LDNQODARMBGGKB-UHFFFAOYSA-N3-(3-{(3,4-dimethoxyphenyl)-[4-(5-methyl-[1,2,4]oxadiazol-3-yl)phenylamino]methyl}-5-oxo-4,5-dihydro-[1,2,4]triazol-1-yl)thiophene-2-carboxylic acid
Database identifiers
- PubChem CID
- 136366529
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 180 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 888
Related reactions
3 records
Compound notes
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