Basic information
- Standard SMILES
COc1ccc(-c2sc3cc(OC)ccc3c2C(=O)CCc2cc(OC)c(OC)c(OC)c2)cc1- InChIKey
FHSUCHZUVNBGDV-UHFFFAOYSA-N- Molecular formula
- C28H28O6S
- Average molar mass
- 492.6 g/mol
Names & identifiers
- Preferred name
- 3-[3'(3",4",5"-Trimethoxyphenyl)propionyl]-2-(4'methoxyphenyl)-6-methoxybenzo[b]thiophene
- IUPAC
- 1-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one
Names & synonyms
SCHEMBL6427693FHSUCHZUVNBGDV-UHFFFAOYSA-N3-[3'(3",4",5"-trimethoxyphenyl)propionyl]-2-(4'methoxyphenyl)-6-methoxybenzo[b]thiophene3-[3'-(3'',4'',5''-trimethoxyphenyl)propionyl]-2-(4'-methoxyphenyl)-6-methoxybenzo[b]thiophene3-[3'-(3'',4'',5''-trimethoxyphenyl)propionyl]-2-(4'-methoxyphenyl)-6methoxybenzo[b]thiophene
Database identifiers
- PubChem CID
- 10074396
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 91.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 654
Related reactions
3 records
Compound notes
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