1-(2,3-Dihydro-1,4-benzodioxin-6-YL)-2-(5-[(2-isopropyl-5-methylphenoxy)methyl]-2-thioxo-1,3,4-oxadiazol-3(2H)-YL)ethanone
Basic information
- CAS
883273-10-7- Standard SMILES
Cc1ccc(C(C)C)c(OCc2nn(CC(=O)c3ccc4c(c3)OCCO4)c(=S)o2)c1- InChIKey
IVXVSHXKULAUMH-UHFFFAOYSA-N- Molecular formula
- C23H24N2O5S
- Average molar mass
- 440.5 g/mol
- Monoisotopic mass
- 440.14059304
Names & identifiers
- Preferred name
- 1-(2,3-Dihydro-1,4-benzodioxin-6-YL)-2-(5-[(2-isopropyl-5-methylphenoxy)methyl]-2-thioxo-1,3,4-oxadiazol-3(2H)-YL)ethanone
- IUPAC
- 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-2-sulfanylidene-1,3,4-oxadiazol-3-yl]ethanone
Names & synonyms
AKOS002212536ST501446301-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2-(5-[(2-ISOPROPYL-5-METHYLPHENOXY)METHYL]-2-THIOXO-1,3,4-OXADIAZOL-3(2H)-YL)ETHANONE1-(2H,3H-benzo[3,4-e]1,4-dioxan-6-yl)-2-(5-{[5-methyl-2-(methylethyl)phenoxy]m ethyl}-2-thioxo(1,3,4-oxadiazolin-3-yl))ethan-1-one
Database identifiers
- CAS
883273-10-7- PubChem CID
- 3259463
- EC Number
- 121-157-2
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 699
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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