Basic information
- Standard SMILES
O=C(CNC(=O)C(F)(F)F)N1CCC2CN(Cc3ccc(Oc4nc5ccccc5s4)cc3)CC21- InChIKey
TYXARSWXQXILCU-UHFFFAOYSA-N- Molecular formula
- C24H23F3N4O3S
- Average molar mass
- 504.5 g/mol
Names & identifiers
- Preferred name
- N-(2-{5-[4-(Benzothiazol-2-yloxy)-benzyl]-hexahydro-pyrrolo[3,4-b]pyrrol-1-yl}-2-oxo-ethyl)-2,2,2-trifluoro-acetamide
- IUPAC
- N-[2-[5-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide
Names & synonyms
N-(2-{5-[4-(Benzothiazol-2-yloxy)-benzyl]-hexahydro-pyrrolo[3,4-b]pyrrol-1-yl}-2-oxo-ethyl)-2,2,2-trifluoro-acetamideSCHEMBL1907503
Database identifiers
- PubChem CID
- 42599593
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 780
Related reactions
3 records
Compound notes
Loading…