Basic information
- CAS
206256-24-8- Standard SMILES
CCOC(=O)c1[nH]c2ccc(Cl)cc2c1Sc1ccccc1N- InChIKey
GBESVLYBGASLHP-UHFFFAOYSA-N- Molecular formula
- C17H15ClN2O2S
- Average molar mass
- 346.8 g/mol
- Monoisotopic mass
- 346.0542766
Names & identifiers
- Preferred name
- 1H-Indole-2-carboxylic acid, 3-((2-aminophenyl)thio)-5-chloro-, ethyl ester
- IUPAC
- ethyl 3-(2-aminophenyl)sulfanyl-5-chloro-1H-indole-2-carboxylate
Names & synonyms
206256-24-81H-Indole-2-carboxylic acid, 3-((2-aminophenyl)thio)-5-chloro-, ethyl esterEthyl 3-(2-aminophenylthio)-5-chloroindole-2-carboxylateEthyl 3-((2-aminophenyl)thio)-5-chloro-1H-indole-2-carboxylate1H-Indole-2-carboxylic acid, 3-[(2-aminophenyl)thio]-5-chloro-, ethyl esterethyl 3-[(2-aminophenyl)sulfanyl]-5-chloro-1h-indole-2-carboxylateethyl 3-(2-aminophenyl)sulfanyl-5-chloro-1H-indole-2-carboxylateCHEMBL84208DTXSID00174639
Database identifiers
- CAS
206256-24-8- PubChem CID
- 469729
- DTXSID
DTXSID00174639- ChEMBL
CHEMBL84208
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 425
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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