Basic information
- Standard SMILES
CC(C)Cc1ccc(C=CC(=O)c2cn(CCCC(=O)O)c3ccccc23)cc1- InChIKey
BCRKKFVDKHEYPE-UHFFFAOYSA-N- Molecular formula
- C25H27NO3
- Average molar mass
- 389.5 g/mol
- Monoisotopic mass
- 389.19909372
Names & identifiers
- Preferred name
- 4-[3-[3-[4-(2-Methylpropyl)phenyl]prop-2-enoyl]indol-1-yl]butanoic acid
- IUPAC
- 4-[3-[3-[4-(2-methylpropyl)phenyl]prop-2-enoyl]indol-1-yl]butanoic acid
Names & synonyms
SCHEMBL8959617
Database identifiers
- PubChem CID
- 53675207
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 577
Related reactions
1 records
Compound notes
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