2-[[4-(4-Ethoxyphenyl)-4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl]thio]-N-(2-methylphenyl)acetamide
Basic information
- CAS
554423-22-2- Standard SMILES
CCOc1ccc(-n2c(SCC(=O)Nc3ccccc3C)n[nH]c2=O)cc1- InChIKey
HVUFFUHVUGMPTB-UHFFFAOYSA-N- Molecular formula
- C19H20N4O3S
- Average molar mass
- 384.5 g/mol
- Monoisotopic mass
- 384.12561169
Names & identifiers
- Preferred name
- 2-[[4-(4-Ethoxyphenyl)-4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl]thio]-N-(2-methylphenyl)acetamide
- IUPAC
- 2-[[4-(4-ethoxyphenyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide
Names & synonyms
MLS000565113CHEMBL1541553DTXSID301116247HMS2449D21AKOS0344651752-[[4-(4-Ethoxyphenyl)-4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl]thio]-N-(2-methylphenyl)acetamide554423-22-2SMR000152335Z569103582-{[4-(4-ethoxyphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Database identifiers
- CAS
554423-22-2- PubChem CID
- 2437246
- DTXSID
DTXSID301116247- ChEMBL
CHEMBL1541553
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 563
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Related reactions
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Compound notes
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