4-(Acetylamino)-3-(4-chlorophenoxy)-2-methyl-1H-indole-1-acetic acid, 1,1-dimethylethyl ester
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Basic information
- Standard SMILES
CC(=O)Nc1cccc2c1c(Oc1ccc(Cl)cc1)c(C)n2CC(=O)OC(C)(C)C- InChIKey
KGJRWELVXQKUEL-UHFFFAOYSA-N- Molecular formula
- C23H25ClN2O4
- Average molar mass
- 428.9 g/mol
Names & identifiers
- Preferred name
- 4-(Acetylamino)-3-(4-chlorophenoxy)-2-methyl-1H-indole-1-acetic acid, 1,1-dimethylethyl ester
- IUPAC
- tert-butyl 2-[4-acetamido-3-(4-chlorophenoxy)-2-methylindol-1-yl]acetate
Names & synonyms
KGJRWELVXQKUEL-UHFFFAOYSA-N4-(Acetylamino)-3-(4-chlorophenoxy)-2-methyl-1H-indole-1-acetic acid, 1,1-dimethylethyl ester
Database identifiers
- PubChem CID
- 86609232
Properties
Computed structural propertiesFilling in
- XLogP
- 4.7
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 615
Related reactions
1 records
Compound notes
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