Basic information
- Standard SMILES
COc1ncnc2sc(NC(=O)N3CCN(C(=O)c4ccc(F)c(C(F)(F)F)c4)CC3)nc12- InChIKey
FYUOFDHWVIGNAC-UHFFFAOYSA-N- Molecular formula
- C19H16F4N6O3S
- Average molar mass
- 484.4 g/mol
Names & identifiers
- Preferred name
- 4-(4-Fluoro-3-trifluoromethyl-benzoyl)-piperazine-1-carboxylic acid (7-methoxy-thiazolo[5,4-d]pyrimidin-2-yl)-amide
- IUPAC
- 4-[4-fluoro-3-(trifluoromethyl)benzoyl]-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperazine-1-carboxamide
Names & synonyms
4-(4-fluoro-3-trifluoromethyl-benzoyl)-piperazine-1-carboxylic acid (7-methoxy-thiazolo[5,4-d]pyrimidin-2-yl)-amideSCHEMBL1761048
Database identifiers
- PubChem CID
- 24831724
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 726
Related reactions
2 records
Compound notes
Loading…