Basic information
- CAS
5356-55-8- Standard SMILES
COc1ccc(OC)c(NC(=O)CSc2nc3ccccc3o2)c1- InChIKey
VFGHODSOPOYPEV-UHFFFAOYSA-N- Molecular formula
- C17H16N2O4S
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.08307817
Names & identifiers
- Preferred name
- 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2,5-dimethoxyphenyl)acetamide
- IUPAC
- 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2,5-dimethoxyphenyl)acetamide
Names & synonyms
5356-55-8ZINC002727812-(1,3-benzoxazol-2-ylsulfanyl)-N-(2,5-dimethoxyphenyl)acetamide2-benzooxazol-2-ylsulfanyl-N-(2,5-dimethoxyphenyl)acetamideCBMicro_019057Cambridge id 5356558Oprea1_189462Oprea1_272305DTXSID00354717CCG-7223STK127053AKOS003270056
Show more names
BIM-0018919.P001ST507059462-benzoxazol-2-ylthio-N-(2,5-dimethoxyphenyl)acetamide2-(1,3-benzoxazol-2-ylthio)-N-(2,5-dimethoxyphenyl)acetamide2-[(1,3-Benzoxazol-2-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
Database identifiers
- CAS
5356-55-8- PubChem CID
- 779889
- DTXSID
DTXSID00354717
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 98.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 425
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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