N-(2-ethoxyphenyl)-2-[(1-phenyl-1H-tetrazol-5-yl)thio]acetamide
Basic information
- CAS
379249-06-6- Standard SMILES
CCOc1ccccc1NC(=O)CSc1nnnn1-c1ccccc1- InChIKey
ZIKPPXWJFRLWQN-UHFFFAOYSA-N- Molecular formula
- C17H17N5O2S
- Average molar mass
- 355.4 g/mol
Names & identifiers
- Preferred name
- N-(2-ethoxyphenyl)-2-[(1-phenyl-1H-tetrazol-5-yl)thio]acetamide
- IUPAC
- N-(2-ethoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
- English name
- N-(2-ethoxyphenyl)-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamide
- Molecular formula
- C17H17N5O2S
- Molecular weight
- 355.41
Names & synonyms
379249-06-6N-(2-ethoxyphenyl)-2-[(1-phenyl-1H-tetrazol-5-yl)thio]acetamideN-(2-ethoxyphenyl)-2-((1-phenyl-1H-tetrazol-5-yl)thio)acetamideSMR000141886Cambridge id 6825995MLS000534450CHEMBL1323641HMS2294I09STK189281AKOS001062008AB00120565-01AF-399/15601258
Show more names
Acetamide, N-(2-ethoxyphenyl)-2-[(1-phenyl-1H-tetrazol-5-yl)thio]-
Z19657343N-(2-ETHOXYPHENYL)-2-((1-PHENYL-1H-TETRAAZOL-5-YL)THIO)ACETAMIDEN-(2-ethoxyphenyl)-2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetamideN-(2-ethoxyphenyl)-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamideN~1~-(2-ETHOXYPHENYL)-2-[(1-PHENYL-1H-1,2,3,4-TETRAAZOL-5-YL)SULFANYL]ACETAMIDE
Database identifiers
- CAS
379249-06-6- ChEMBL
CHEMBL1323641
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 422
Physicochemical properties
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 12.25 · 12.25±0.70(Predicted)
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Related reactions
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Compound notes
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