3-(3-tert-Butyl-benzo[b]thiophen-2-yl-sulfanyl)-4-hydroxy-6-[2-(2-hydroxymethyl-phenyl)-ethyl]-6-isopropyl-5,6-dihydro-pyran-2-one
Basic information
- Standard SMILES
CC(C)C1(CCc2ccccc2CO)CC(O)=C(Sc2sc3ccccc3c2C(C)(C)C)C(=O)O1- InChIKey
QLWJPKWZYOZPGV-UHFFFAOYSA-N- Molecular formula
- C29H34O4S2
- Average molar mass
- 510.7 g/mol
Names & identifiers
- Preferred name
- 3-(3-tert-Butyl-benzo[b]thiophen-2-yl-sulfanyl)-4-hydroxy-6-[2-(2-hydroxymethyl-phenyl)-ethyl]-6-isopropyl-5,6-dihydro-pyran-2-one
- IUPAC
- 5-[(3-tert-butyl-1-benzothiophen-2-yl)sulfanyl]-4-hydroxy-2-[2-[2-(hydroxymethyl)phenyl]ethyl]-2-propan-2-yl-3H-pyran-6-one
Names & synonyms
3-(3-tert-Butyl-benzo[b]thiophen-2-yl-sulfanyl)-4-hydroxy-6-[2-(2-hydroxymethyl-phenyl)-ethyl]-6-isopropyl-5,6-dihydro-pyran-2-oneSCHEMBL6302653QLWJPKWZYOZPGV-UHFFFAOYSA-N5-(3-tert-butylbenzothiophen-2-yl)sulfanyl-4-hydroxy-2-[2-[2-(hydroxymethyl)phenyl]ethyl]-2-isopropyl-3H-pyran-6-one
Database identifiers
- PubChem CID
- 54677010
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 788
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Related reactions
3 records
Compound notes
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