Basic information
- CAS
206256-23-7- Standard SMILES
CCOC(=O)c1[nH]c2ccccc2c1Sc1cc(Cl)ccc1N- InChIKey
JOAZAGOUKKSIPI-UHFFFAOYSA-N- Molecular formula
- C17H15ClN2O2S
- Average molar mass
- 346.8 g/mol
- Monoisotopic mass
- 346.0542766
Names & identifiers
- Preferred name
- Ethyl 3-[(2-amino-5-chlorophenyl)sulfanyl]-1h-indole-2-carboxylate
- IUPAC
- ethyl 3-(2-amino-5-chlorophenyl)sulfanyl-1H-indole-2-carboxylate
Names & synonyms
206256-23-7ethyl 3-[(2-amino-5-chlorophenyl)sulfanyl]-1h-indole-2-carboxylateEthyl 3-((2-amino-5-chlorophenyl)thio)-1H-indole-2-carboxylateEthyl 3-(2-amino-5-chlorophenylthio)indole-2-carboxylate1H-Indole-2-carboxylic acid, 3-((2-amino-5-chlorophenyl)thio)-, ethyl ester1H-Indole-2-carboxylic acid, 3-[(2-amino-5-chlorophenyl)thio]-, ethyl esterCHEMBL314331DTXSID40174638ethyl 3-(2-amino-5-chloro-phenyl)sulfanyl-1H-indole-2-carboxylate
Database identifiers
- CAS
206256-23-7- PubChem CID
- 469728
- DTXSID
DTXSID40174638- ChEMBL
CHEMBL314331
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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