Acetamide, 2-[[(3,5-dimethyl-4-isoxazolyl)methyl]thio]-N-[4-(2-phenyldiazenyl)phenyl]-
Basic information
- CAS
857041-48-6- Standard SMILES
Cc1noc(C)c1CSCC(=O)Nc1ccc(N=Nc2ccccc2)cc1- InChIKey
WQZQKMHFCVSOKL-UHFFFAOYSA-N- Molecular formula
- C20H20N4O2S
- Average molar mass
- 380.5 g/mol
- Monoisotopic mass
- 380.13069707
Names & identifiers
- Preferred name
- Acetamide, 2-[[(3,5-dimethyl-4-isoxazolyl)methyl]thio]-N-[4-(2-phenyldiazenyl)phenyl]-
- IUPAC
- 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-phenyldiazenylphenyl)acetamide
Names & synonyms
DTXSID801040893AKOS030722176Acetamide, 2-[[(3,5-dimethyl-4-isoxazolyl)methyl]thio]-N-[4-(2-phenyldiazenyl)phenyl]-857041-48-6Z17676655
Database identifiers
- CAS
857041-48-6- PubChem CID
- 4849032
- DTXSID
DTXSID801040893
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 490
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…