Basic information
- Standard SMILES
Cc1csc2nc(CC3=C(O)CC(CCc4ccc(C(F)F)c(F)c4)(C4CCCC4)OC3=O)cc(=O)n12- InChIKey
WEWUTQWGSODJLN-UHFFFAOYSA-N- Molecular formula
- C27H27F3N2O4S
- Average molar mass
- 532.6 g/mol
Names & identifiers
- Preferred name
- 7-[(6-Cyclopentyl-6-{2-[4-(difluoromethyl)-3-fluorophenyl]ethyl}-4-hydroxy-2-oxo-5,6-dihydro-2H-pyran-3-yl)methyl]-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
- IUPAC
- 7-[[2-cyclopentyl-2-[2-[4-(difluoromethyl)-3-fluorophenyl]ethyl]-4-hydroxy-6-oxo-3H-pyran-5-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Names & synonyms
7-[(6-Cyclopentyl-6-{2-[4-(difluoromethyl)-3-fluorophenyl]ethyl}-4-hydroxy-2-oxo-5,6-dihydro-2H-pyran-3-yl)methyl]-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-oneSCHEMBL3987003
Database identifiers
- PubChem CID
- 58762467
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,080
Related reactions
3 records
Compound notes
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