Basic information
- Standard SMILES
COC(=O)c1cccc(Sc2c(C)n(Cc3ccccc3)c3cc(-c4ccccc4)ccc23)c1- InChIKey
ANYYUSLHBUIXPL-UHFFFAOYSA-N- Molecular formula
- C30H25NO2S
- Average molar mass
- 463.6 g/mol
Names & identifiers
- Preferred name
- 3-(1-Benzyl-2-methyl-6-phenyl-1H-indol-3-ylsulfanyl)-benzoic acid methyl ester
- IUPAC
- methyl 3-(1-benzyl-2-methyl-6-phenylindol-3-yl)sulfanylbenzoate
Names & synonyms
SCHEMBL671365ANYYUSLHBUIXPL-UHFFFAOYSA-N3-(1-Benzyl-2-methyl-6-phenyl-1H-indol-3-ylsulfanyl)-benzoic acid methyl ester
Database identifiers
- PubChem CID
- 66765233
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 658
Related reactions
1 records
Compound notes
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