Basic information
- Standard SMILES
CCOC(=O)n1c(C(=O)c2cc(-c3ccccc3)no2)c(N)c2ccc(Cl)cc21- InChIKey
FMGQSFYKLBZYCJ-UHFFFAOYSA-N- Molecular formula
- C21H16ClN3O4
- Average molar mass
- 409.8 g/mol
Names & identifiers
- Preferred name
- 3-Amino-6-chloro-1-(ethoxycarbonyl)-2-(3-phenyl-5-isoxazoyl)indole
- IUPAC
- ethyl 3-amino-6-chloro-2-(3-phenyl-1,2-oxazole-5-carbonyl)indole-1-carboxylate
Names & synonyms
SCHEMBL7508030FMGQSFYKLBZYCJ-UHFFFAOYSA-N3-Amino-6-chloro-1-(ethoxycarbonyl)-2-(3-phenyl-5-isoxazoyl)indole
Database identifiers
- PubChem CID
- 70113705
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 615
Related reactions
1 records
Compound notes
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