Basic information
- Standard SMILES
CC(C)(C)N1C(=O)C(NC2CCN(c3cc(C(F)(F)F)ccn3)CC2)=C(c2ccccc2)S1(=O)=O- InChIKey
OYOXPMOAVALTSW-UHFFFAOYSA-N- Molecular formula
- C24H27F3N4O3S
- Average molar mass
- 508.6 g/mol
Names & identifiers
- Preferred name
- 2-tert-Butyl-5-phenyl-4-({1-[4-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl}amino)isothiazol-3(2H)-one 1,1-dioxide
- IUPAC
- 2-tert-butyl-1,1-dioxo-5-phenyl-4-[[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-1,2-thiazol-3-one
Names & synonyms
2-tert-Butyl-5-phenyl-4-({1-[4-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl}amino)isothiazol-3(2H)-one 1,1-dioxideSCHEMBL1999058
Database identifiers
- PubChem CID
- 67242556
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 91 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 925
Related reactions
3 records
Compound notes
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