Basic information
- Standard SMILES
CCCCN1C(=O)C(Nc2ccc(OCc3ccccc3)cc2)=C(c2ccccc2)S1(=O)=O- InChIKey
IFWLIJNDWODUAS-UHFFFAOYSA-N- Molecular formula
- C26H26N2O4S
- Average molar mass
- 462.6 g/mol
- Monoisotopic mass
- 462.16132849
Names & identifiers
- Preferred name
- 4-{[4-(Benzyloxy)phenyl]amino}-2-butyl-5-phenylisothiazol-3(2H)-one 1,1-dioxide
- IUPAC
- 2-butyl-1,1-dioxo-5-phenyl-4-(4-phenylmethoxyanilino)-1,2-thiazol-3-one
Names & synonyms
SCHEMBL3487073IFWLIJNDWODUAS-UHFFFAOYSA-N4-{[4-(Benzyloxy)phenyl]amino}-2-butyl-5-phenylisothiazol-3(2H)-one 1,1-dioxide
Database identifiers
- PubChem CID
- 11655580
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 784
Related reactions
2 records
Compound notes
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