4-(1-Benzofuran-5-ylamino)-2-butyl-5-phenylisothiazol-3(2H)-one 1,1-dioxide
Basic information
- Standard SMILES
CCCCN1C(=O)C(Nc2ccc3occc3c2)=C(c2ccccc2)S1(=O)=O- InChIKey
YQDUVBGEQDYQHG-UHFFFAOYSA-N- Molecular formula
- C21H20N2O4S
- Average molar mass
- 396.5 g/mol
Names & identifiers
- Preferred name
- 4-(1-Benzofuran-5-ylamino)-2-butyl-5-phenylisothiazol-3(2H)-one 1,1-dioxide
- IUPAC
- 4-(1-benzofuran-5-ylamino)-2-butyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
Names & synonyms
SCHEMBL3487497YQDUVBGEQDYQHG-UHFFFAOYSA-N4-(1-Benzofuran-5-ylamino)-2-butyl-5-phenylisothiazol-3(2H)-one 1,1-dioxide
Database identifiers
- PubChem CID
- 11610946
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 88 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 721
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…