Basic information
- Standard SMILES
COC(=O)C=Cc1cccc(Sc2cccc(-c3ccccc3)n2)c1- InChIKey
HXJNJVJOFOBSPC-UHFFFAOYSA-N- Molecular formula
- C21H17NO2S
- Average molar mass
- 347.4 g/mol
Names & identifiers
- Preferred name
- 3-[3-(6-Phenyl-pyridin-2-ylsulfanyl)-phenyl]-acrylic acid methyl ester
- IUPAC
- methyl 3-[3-[(6-phenyl-2-pyridinyl)sulfanyl]phenyl]prop-2-enoate
Names & synonyms
SCHEMBL2843084HXJNJVJOFOBSPC-UHFFFAOYSA-N3-[3-(6-Phenyl-pyridin-2-ylsulfanyl)-phenyl]-acrylic acid methyl ester
Database identifiers
- PubChem CID
- 68412752
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 64.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 447
Related reactions
2 records
Compound notes
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