Basic information
- Standard SMILES
O=C(O)CCc1c(C=C2C(=O)Nc3cc(Cl)ccc32)[nH]c2c1CCCC2- InChIKey
YTTUVDIJINNTEQ-UHFFFAOYSA-N- Molecular formula
- C20H19ClN2O3
- Average molar mass
- 370.8 g/mol
Names & identifiers
- Preferred name
- 3-[2-(6-chloro-2-oxo-1,2-dihydroindol-3-ylidenemethyl)-4,5,6,7-tetrahydro-1H-indol-3-yl]-propionic acid
- IUPAC
- 3-[2-[(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]-4,5,6,7-tetrahydro-1H-indol-3-yl]propanoic acid
Names & synonyms
SCHEMBL6394729YTTUVDIJINNTEQ-UHFFFAOYSA-N3-[2-(6-chloro-2-oxo-1,2-dihydro-indol-3-ylidenemethyl)-4,5,6,7-tetrahydro-1H-indol-3-yl]-propionic acid3-[2-(6-chloro-2-oxo-1,2-dihydroindol-3-ylidenemethyl)-4,5,6,7-tetrahydro-1H-indol-3-yl]-propionic acid
Database identifiers
- PubChem CID
- 69764714
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 608
Related reactions
3 records
Compound notes
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