Basic information
- Standard SMILES
CC(C)(C)N1C(=O)C(NCCCOc2ccccn2)=C(c2ccccc2)S1(=O)=O- InChIKey
TWIVNSOWJXRLSB-UHFFFAOYSA-N- Molecular formula
- C21H25N3O4S
- Average molar mass
- 415.5 g/mol
Names & identifiers
- Preferred name
- 2-tert-Butyl-5-phenyl-4-{[3-(pyridin-2-yloxy)propyl]amino}isothiazol-3(2H)-one 1,1-dioxide
- IUPAC
- 2-tert-butyl-1,1-dioxo-5-phenyl-4-(3-pyridin-2-yloxypropylamino)-1,2-thiazol-3-one
Names & synonyms
SCHEMBL2001884SCHEMBL30412809TWIVNSOWJXRLSB-UHFFFAOYSA-N2-tert-Butyl-5-phenyl-4-{[3-(pyridin-2-yloxy)propyl]amino}isothiazol-3(2H)-one 1,1-dioxide
Database identifiers
- PubChem CID
- 11618534
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 97 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 715
Related reactions
3 records
Compound notes
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