3-[2-(5-bromo-4-methyl-2-oxo-1,2-dihydroindol-3-ylidenemethyl)-4,5,6,7-tetrahydro-1H-indol-3-yl]-propionic acid
Basic information
- Standard SMILES
Cc1c(Br)ccc2c1C(=Cc1[nH]c3c(c1CCC(=O)O)CCCC3)C(=O)N2- InChIKey
YSXXXUUPXLNFMQ-UHFFFAOYSA-N- Molecular formula
- C21H21BrN2O3
- Average molar mass
- 429.3 g/mol
Names & identifiers
- Preferred name
- 3-[2-(5-bromo-4-methyl-2-oxo-1,2-dihydroindol-3-ylidenemethyl)-4,5,6,7-tetrahydro-1H-indol-3-yl]-propionic acid
- IUPAC
- 3-[2-[(5-bromo-4-methyl-2-oxo-1H-indol-3-ylidene)methyl]-4,5,6,7-tetrahydro-1H-indol-3-yl]propanoic acid
Names & synonyms
SCHEMBL6393665YSXXXUUPXLNFMQ-UHFFFAOYSA-N3-[2-(5-bromo-4-methyl-2-oxo-1,2-dihydro-indol-3-ylidenemethyl)-4,5,6,7-tetrahydro-1H-indol-3-yl]-propionic acid3-[2-(5-bromo-4-methyl-2-oxo-1,2-dihydroindol-3-ylidenemethyl)-4,5,6,7-tetrahydro-1H-indol-3-yl]-propionic acid
Database identifiers
- PubChem CID
- 69764374
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 637
Related reactions
2 records
Compound notes
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