Basic information
- Standard SMILES
CCOC(=O)CCc1c(C)cc(-c2noc(-c3cc(C)c(C=O)s3)n2)cc1CC- InChIKey
PAQFNPURBLQTSM-UHFFFAOYSA-N- Molecular formula
- C22H24N2O4S
- Average molar mass
- 412.5 g/mol
Names & identifiers
- Preferred name
- 3-{2-Ethyl-4-[5-(5-formyl-4-methyl-thiophen-2-yl)-[1,2,4]oxadiazol-3-yl]-6-methyl-phenyl}-propionic acid ethyl ester
- IUPAC
- ethyl 3-[2-ethyl-4-[5-(5-formyl-4-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-6-methylphenyl]propanoate
Names & synonyms
SCHEMBL2064317PAQFNPURBLQTSM-UHFFFAOYSA-N3-{2-Ethyl-4-[5-(5-formyl-4-methyl-thiophen-2-yl)-[1,2,4]oxadiazol-3-yl]-6-methyl-phenyl}-propionic acid ethyl ester
Database identifiers
- PubChem CID
- 86646445
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 563
Related reactions
2 records
Compound notes
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