Basic information
- Standard SMILES
Cc1cc(C)n(CCCNC2=C(c3ccccc3)S(=O)(=O)N(C(C)(C)C)C2=O)n1- InChIKey
FYUPANJDGAQAIS-UHFFFAOYSA-N- Molecular formula
- C21H28N4O3S
- Average molar mass
- 416.5 g/mol
Names & identifiers
- Preferred name
- 2-tert-Butyl-4-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]amino}-5-phenylisothiazol-3(2H)-one 1,1-dioxide
- IUPAC
- 2-tert-butyl-4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
Names & synonyms
SCHEMBL2001253FYUPANJDGAQAIS-UHFFFAOYSA-N2-tert-Butyl-4-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]amino}-5-phenylisothiazol-3(2H)-one 1,1-dioxide
Database identifiers
- PubChem CID
- 67243306
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 745
Related reactions
3 records
Compound notes
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