5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-4-hydroxy-2-isopropyl-2-[2-(4-methylthiazol-2-yl)ethyl]-3H-pyran-6-one
Basic information
- Standard SMILES
Cc1csc(CCC2(C(C)C)CC(O)=C(Sc3cc(C)c(CO)cc3C(C)(C)C)C(=O)O2)n1- InChIKey
DCXYWZRFMJWRDB-UHFFFAOYSA-N- Molecular formula
- C26H35NO4S2
- Average molar mass
- 489.7 g/mol
Names & identifiers
- Preferred name
- 5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-4-hydroxy-2-isopropyl-2-[2-(4-methylthiazol-2-yl)ethyl]-3H-pyran-6-one
- IUPAC
- 5-[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl-4-hydroxy-2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-propan-2-yl-3H-pyran-6-one
Names & synonyms
SCHEMBL6303215DCXYWZRFMJWRDB-UHFFFAOYSA-N3-{[2-Tert-butyl-4-(hydroxymethyl)-5-methylphenyl]thio}-4-hydroxy-6-isopropyl-6-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-5,6-dihydro-2H-pyran-2-one5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-4-hydroxy-2-isopropyl-2-[2-(4-methylthiazol-2-yl)ethyl]-3H-pyran-6-one
Database identifiers
- PubChem CID
- 54677019
- ChEMBL
CHEMBL306963- Nikkaji
- J1.565.828B
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 734
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Related reactions
3 records
Compound notes
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