Basic information
- Standard SMILES
COc1ccc(-c2sc3cc(OC)ccc3c2C(=O)c2ccc(OC)c(OC)c2)cc1- InChIKey
HDJYISDTFGUXNG-UHFFFAOYSA-N- Molecular formula
- C25H22O5S
- Average molar mass
- 434.5 g/mol
Names & identifiers
- Preferred name
- 3-(3', 4'-Dimethoxybenzoyl)-2-(4'-methoxyphenyl)-6-methoxybenzo[b]thiophene
- IUPAC
- (3,4-dimethoxyphenyl)-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]methanone
Names & synonyms
SCHEMBL5027097HDJYISDTFGUXNG-UHFFFAOYSA-N3-(3', 4'-dimethoxybenzoyl)-2-(4'-methoxyphenyl)-6-methoxybenzo[b]thiophene3-(3',4'-dimethoxybenzoyl)-2-(4'-methoxyphenyl)-6-methoxybenzo [b]thiophene3-(3',4'-dimethoxybenzoyl)-2-(4'-methoxyphenyl)-6-methoxybenzo[b]thiophene
Database identifiers
- PubChem CID
- 10071593
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 592
Related reactions
4 records
Compound notes
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