Basic information
- CAS
1048915-59-8- Standard SMILES
CC1(C)C2CCC1(CS(=O)(=O)N1CCN(c3ccc(C(F)(F)F)cn3)CC1)C(=O)C2- InChIKey
BYVPYJYHCMIHMK-UHFFFAOYSA-N- Molecular formula
- C20H26F3N3O3S
- Average molar mass
- 445.5 g/mol
- Monoisotopic mass
- 445.16469736
Names & identifiers
- Preferred name
- 7,7-Dimethyl-1-(((4-(5-(trifluoromethyl)(2-pyridyl))piperazinyl)sulfonyl)methyl)bicyclo[2.2.1]heptan-2-one
- IUPAC
- 7,7-dimethyl-1-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylmethyl]bicyclo[2.2.1]heptan-2-one
- English name
- 7,7-DIMETHYL-1-(((4-(5-(TRIFLUOROMETHYL)(2-PYRIDYL))PIPERAZINYL)SULFONYL)METHYL)BICYCLO[2.2.1]HEPTAN-2-ONE
- Molecular formula
- C20H26F3N3O3S
- Molecular weight
- 445.5
Names & synonyms
1048915-59-87,7-dimethyl-1-[({4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}sulfonyl)methyl]bicyclo[2.2.1]heptan-2-one7,7-Dimethyl-1-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylmethyl]bicyclo[2.2.1]heptan-2-one7,7-Dimethyl-1-(((4-(5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)sulfonyl)methyl)bicyclo[2.2.1]Heptan-2-oneMFCD009553887,7-DIMETHYL-1-(((4-(5-(TRIFLUOROMETHYL)(2-PYRIDYL))PIPERAZINYL)SULFONYL)METHYL)BICYCLO[2.2.1]HEPTAN-2-ONEC20H26F3N3O3SSCHEMBL23921194DTXSID101108341YRB91559AKOS005109686MS-7631
Show more names
Bicyclo[2.2.1]heptan-2-one, 7,7-dimethyl-1-[[[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]sulfonyl]methyl]-
7,7-Dimethyl-1-[[[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]sulfonyl]methyl]bicyclo[2.2.1]heptan-2-one7,7-dimethyl-1-[[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]sulfonylmethyl]norbornan-2-one
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 79 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 787
Chemistry & industry
Suppliers4 total
Key Organics Ltd.[email protected]
MENAI[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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