Basic information
- Standard SMILES
COc1ncnc2sc(NC(=O)N3CCC(NC(=O)c4ccc(F)c(C(F)(F)F)c4)CC3)nc12- InChIKey
QNFFIKONSBWNFI-UHFFFAOYSA-N- Molecular formula
- C20H18F4N6O3S
- Average molar mass
- 498.5 g/mol
Names & identifiers
- Preferred name
- 4-(4-Fluoro-3-trifluoromethyl-benzoylamino)-piperidine-1-carboxylic acid (7-methoxy-thiazolo[5,4-d]pyrimidin-2-yl)-amide
- IUPAC
- 4-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide
Names & synonyms
4-(4-fluoro-3-trifluoromethyl-benzoylamino)-piperidine-1-carboxylic acid (7-methoxy-thiazolo[5,4-d]pyrimidin-2-yl)-amideSCHEMBL1760925
Database identifiers
- PubChem CID
- 59011977
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 742
Related reactions
2 records
Compound notes
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