Basic information
- Standard SMILES
CCOc1cc(C(=Nc2ccc(-c3noc(C)n3)cc2)C(=NC(=O)OC)SC)ccc1O- InChIKey
GPUIPPAEHJBHSA-UHFFFAOYSA-N- Molecular formula
- C22H22N4O5S
- Average molar mass
- 454.5 g/mol
- Monoisotopic mass
- 454.13109099
Names & identifiers
- Preferred name
- {2-(3-Ethoxy-4-hydroxyphenyl)-2-[4-(5-methyl-[1,2,4]oxadiazol-3-yl)phenylimino]-1-methylsulfanylethylidene}carbamic acid methyl ester
- IUPAC
- methyl 2-(3-ethoxy-4-hydroxyphenyl)-N-methoxycarbonyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]iminoethanimidothioate
Names & synonyms
SCHEMBL1620443SCHEMBL1620445SCHEMBL12717853SCHEMBL13998929GPUIPPAEHJBHSA-UHFFFAOYSA-N{2-(3-ethoxy-4-hydroxyphenyl)-2-[4-(5-methyl-[1,2,4]oxadiazol-3-yl)phenylimino]-1-methylsulfanylethylidene}carbamic acid methyl ester
Database identifiers
- PubChem CID
- 136366385
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 683
Related reactions
8 records
Compound notes
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