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Basic information
- Standard SMILES
CC(C)(C)N1C(=O)C(NCCCOc2cccc(Cl)c2)=C(c2ccccc2)S1(=O)=O- InChIKey
GHCOOKXQLFMNJP-UHFFFAOYSA-N- Molecular formula
- C22H25ClN2O4S
- Average molar mass
- 449 g/mol
Names & identifiers
- Preferred name
- 2-tert-Butyl-4-{[3-(3-chlorophenoxy)propyl]amino}-5-phenylisothiazol-3(2H)-one 1,1-dioxide
- IUPAC
- 2-tert-butyl-4-[3-(3-chlorophenoxy)propylamino]-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
Names & synonyms
SCHEMBL2001620GHCOOKXQLFMNJP-UHFFFAOYSA-N2-tert-Butyl-4-{[3-(3-chlorophenoxy)propyl]amino}-5-phenylisothiazol-3(2H)-one 1,1-dioxide
Database identifiers
- PubChem CID
- 11640942
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 748
Related reactions
3 records
Compound notes
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