2-[[5-(2-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
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Basic information
- CAS
482638-75-5- Standard SMILES
CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccccc1Br- InChIKey
GCVOBUKDUMAUDI-UHFFFAOYSA-N- Molecular formula
- C19H19BrN4O2S
- Average molar mass
- 447.4 g/mol
- Monoisotopic mass
- 446.04121
Names & identifiers
- Preferred name
- 2-[[5-(2-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
- IUPAC
- 2-[[5-(2-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
- English name
- 2-{[5-(2-bromophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
- Molecular formula
- C19H19BrN4O2S
- Molecular weight
- 447.35
Names & synonyms
2-{[5-(2-bromophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxyphenyl)acetamideAKOS0005848332-[[5-(2-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamideST50259882AG-690/407514312-[5-(2-bromophenyl)-4-ethyl(1,2,4-triazol-3-ylthio)]-N-(2-methoxyphenyl)aceta mideAcetamide, 2-[[5-(2-bromophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]thio]-N-(2-methoxyphenyl)-
Database identifiers
- CAS
482638-75-5- PubChem CID
- 995261
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 487
Physicochemical properties
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- 12.34 · 12.34±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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