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Basic information
- Standard SMILES
CC(=CC(=O)Nc1ccccc1CC(c1c[nH]c2ccccc12)c1c(C)[nH]c2ccccc12)C(=O)O- InChIKey
HNJHQCIZFWPRDY-UHFFFAOYSA-N- Molecular formula
- C30H27N3O3
- Average molar mass
- 477.6 g/mol
- Monoisotopic mass
- 477.20524173
Names & identifiers
- Preferred name
- 4-[2-[2-(1H-indol-3-yl)-2-(2-methyl-1H-indol-3-yl)ethyl]anilino]-2-methyl-4-oxobut-2-enoic acid
- IUPAC
- 4-[2-[2-(1H-indol-3-yl)-2-(2-methyl-1H-indol-3-yl)ethyl]anilino]-2-methyl-4-oxobut-2-enoic acid
Database identifiers
- PubChem CID
- 243121
Properties
Computed structural propertiesFilling in
- XLogP
- 5.6
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 828
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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