6-[-2-(4-Fluoro-phenyl)-ethyl]-4-hydroxy-6-isopropyl-3-(5-isopropyl-benzothiazol-6-ylsulfanyl)-5,6-dihydro-pyran-2-one
Basic information
- Standard SMILES
CC(C)c1cc2ncsc2cc1SC1=C(O)CC(CCc2ccc(F)cc2)(C(C)C)OC1=O- InChIKey
OTKNMGWULVUEGG-UHFFFAOYSA-N- Molecular formula
- C26H28FNO3S2
- Average molar mass
- 485.6 g/mol
Names & identifiers
- Preferred name
- 6-[-2-(4-Fluoro-phenyl)-ethyl]-4-hydroxy-6-isopropyl-3-(5-isopropyl-benzothiazol-6-ylsulfanyl)-5,6-dihydro-pyran-2-one
- IUPAC
- 2-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-propan-2-yl-5-[(5-propan-2-yl-1,3-benzothiazol-6-yl)sulfanyl]-3H-pyran-6-one
Names & synonyms
SCHEMBL6296826OTKNMGWULVUEGG-UHFFFAOYSA-N6-[-2-(4-Fluoro-phenyl)-ethyl]-4-hydroxy-6-isopropyl-3-(5-isopropyl-benzothiazol-6-ylsulfanyl)-5,6-dihydro-pyran-2-one
Database identifiers
- PubChem CID
- 69734729
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 737
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…