Basic information
- Standard SMILES
COC(=O)Cc1cc(C(=O)c2ccc3cc(-c4ccccc4)[nH]c3c2)sc1Br- InChIKey
VZRAIQLIKNIXPP-UHFFFAOYSA-N- Molecular formula
- C22H16BrNO3S
- Average molar mass
- 454.3 g/mol
- Monoisotopic mass
- 453.00343
Names & identifiers
- Preferred name
- Methyl (2-bromo-5-(2-phenyl-1H-indole-6-carbonyl)thiophen-3-yl)acetate
- IUPAC
- methyl 2-[2-bromo-5-(2-phenyl-1H-indole-6-carbonyl)thiophen-3-yl]acetate
Names & synonyms
VZRAIQLIKNIXPP-UHFFFAOYSA-NMethyl (2-bromo-5-(2-phenyl-1H-indole-6-carbonyl)thiophen-3-yl)acetatemethyl-(2-bromo-5-(2-phenyl-1H-indole-6-carbonyl)thiophene-3-yl)acetate
Database identifiers
- PubChem CID
- 86664845
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 87.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 582
Related reactions
4 records
Compound notes
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