Basic information
- Standard SMILES
CCSC(C)(C(=O)Nc1ccc(C(F)(F)F)cn1)C1CCN(C(=O)OC(C)(C)C)CC1- InChIKey
XAFWMHQDWPAERS-UHFFFAOYSA-N- Molecular formula
- C21H30F3N3O3S
- Average molar mass
- 461.5 g/mol
Names & identifiers
- Preferred name
- 4-[1-Methyl-1-(5-trifluoromethyl-pyridin-2-ylcarbamoyl)-ethylsulfanylmethyl]-piperidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[2-ethylsulfanyl-1-oxo-1-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-yl]piperidine-1-carboxylate
Names & synonyms
4-[1-methyl-1-(5-trifluoromethyl-pyridin-2-ylcarbamoyl)-ethylsulfanylmethyl]-piperidine-1-carboxylic acid tert-butyl esterSCHEMBL1620749
Database identifiers
- PubChem CID
- 67097256
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 96.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 634
Related reactions
2 records
Compound notes
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