Basic information
- Standard SMILES
O=C(NN1CCS(=O)(=O)CC1)c1cnc(OCC(F)(F)F)c(C2CC2)c1- InChIKey
VLTMUNQVHNTUQN-UHFFFAOYSA-N- Molecular formula
- C15H18F3N3O4S
- Average molar mass
- 393.4 g/mol
- Monoisotopic mass
- 393.09701172
Names & identifiers
- Preferred name
- 5-cyclopropyl-N-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)-6-(2,2,2-trifluoro-ethoxy)-nicotinamide
- IUPAC
- 5-cyclopropyl-N-(1,1-dioxo-1,4-thiazinan-4-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
Names & synonyms
5-cyclopropyl-N-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)-6-(2,2,2-trifluoro-ethoxy)-nicotinamideSCHEMBL14761518
Database identifiers
- PubChem CID
- 71294003
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 97 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 605
Related reactions
1 records
Compound notes
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