Basic information
- Standard SMILES
COc1ccc2c(c1)c(CC(=O)O)c(C)n2Cc1ccc(Br)cc1- InChIKey
VYGRRQURXQHVSD-UHFFFAOYSA-N- Molecular formula
- C19H18BrNO3
- Average molar mass
- 388.3 g/mol
- Monoisotopic mass
- 387.04701
Names & identifiers
- Preferred name
- 1-(4-Bromobenzyl)-5-methoxy-2-methylindole-3-acetic acid
- IUPAC
- 2-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetic acid
Names & synonyms
CHEMBL320140Indomethacin derivative, 23SCHEMBL8607505BDBM22970VYGRRQURXQHVSD-UHFFFAOYSA-N1-(4-Bromobenzyl)-5-methoxy-2-methylindole-3-acetic acid2-{1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetic acid
Database identifiers
- PubChem CID
- 10810285
- ChEMBL
CHEMBL320140
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 51.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 438
Related reactions
3 records
Linked notes
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