Basic information
- Standard SMILES
CCOC(=O)Cn1nc(-c2ccc(Cl)s2)n(CCOC)c1=O- InChIKey
SCEKRCAULGUPTL-UHFFFAOYSA-N- Molecular formula
- C13H16ClN3O4S
- Average molar mass
- 345.8 g/mol
Names & identifiers
- Preferred name
- Ethyl [3-(5-chloro-2-thienyl)-4-(2-methoxyethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate
- IUPAC
- ethyl 2-[3-(5-chlorothiophen-2-yl)-4-(2-methoxyethyl)-5-oxo-1,2,4-triazol-1-yl]acetate
Names & synonyms
SCHEMBL10129485SCEKRCAULGUPTL-UHFFFAOYSA-NEthyl [3-(5-chloro-2-thienyl)-4-(2-methoxyethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetateEthyl[3-(5-chloro-2-thienyl)-4-(2-methoxyethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate
Database identifiers
- PubChem CID
- 59536780
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 99.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 463
Related reactions
10 records
Compound notes
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