Basic information
- Standard SMILES
CCc1sc(C(=O)CCc2cc(C)c(OC[C@@H](O)CO)c(C)c2)cc1-c1ccc(C)cc1- InChIKey
MHZQPPAJEOZNRT-QFIPXVFZSA-N- Molecular formula
- C27H32O4S
- Average molar mass
- 452.6 g/mol
Names & identifiers
- Preferred name
- 3-[4-((S)-2,3-dihydroxy-propoxy)-3,5-dimethyl-phenyl]-1-(5-ethyl-4-p-tolyl-thiophen-2-yl)-propan-1-one
- IUPAC
- 3-[4-[(2S)-2,3-dihydroxypropoxy]-3,5-dimethylphenyl]-1-[5-ethyl-4-(4-methylphenyl)thiophen-2-yl]propan-1-one
Names & synonyms
SCHEMBL1797607MHZQPPAJEOZNRT-QFIPXVFZSA-N3-[4-((S)-2,3-dihydroxy-propoxy)-3,5-dimethyl-phenyl]-1-(5-ethyl-4-p-tolyl-thiophen-2-yl)-propan-1-one
Database identifiers
- PubChem CID
- 59248982
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 95 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 564
Related reactions
1 records
Compound notes
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