Basic information
- Standard SMILES
COC(=O)c1cccc(Sc2c(C)n(Cc3ccccc3)c3cc(Br)ccc23)c1- InChIKey
YDIACKSKRIEYTH-UHFFFAOYSA-N- Molecular formula
- C24H20BrNO2S
- Average molar mass
- 466.4 g/mol
Names & identifiers
- Preferred name
- 3-(1-Benzyl-6-bromo-2-methyl-1H-indol-3-ylsulfanyl)-benzoic acid methyl ester
- IUPAC
- methyl 3-(1-benzyl-6-bromo-2-methylindol-3-yl)sulfanylbenzoate
Names & synonyms
SCHEMBL671377YDIACKSKRIEYTH-UHFFFAOYSA-N3-(1-Benzyl-6-bromo-2-methyl-1H-indol-3-ylsulfanyl)-benzoic acid methyl ester
Database identifiers
- PubChem CID
- 66765236
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 555
Related reactions
5 records
Compound notes
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