Basic information
- Standard SMILES
CCOC(=O)c1nc(-c2ccc(OCc3ccccc3)cc2)ns1- InChIKey
JQDPFBNJRZCHJX-UHFFFAOYSA-N- Molecular formula
- C18H16N2O3S
- Average molar mass
- 340.4 g/mol
Names & identifiers
- Preferred name
- 3-(4-Benzyloxyphenyl)-[1,2,4]thiadiazole-5-carboxylic acid ethyl ester
- IUPAC
- ethyl 3-(4-phenylmethoxyphenyl)-1,2,4-thiadiazole-5-carboxylate
Names & synonyms
SCHEMBL1425593JQDPFBNJRZCHJX-UHFFFAOYSA-N3-(4-Benzyloxyphenyl)-[1,2,4] thiadiazole-5-carboxylic acid ethyl ester3-(4-Benzyloxyphenyl)-[1,2,4]thiadiazole-5-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 59549532
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 89.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 396
Related reactions
2 records
Compound notes
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