Basic information
- CAS
206256-25-9- Standard SMILES
CCOC(=O)c1[nH]c2ccc(Cl)cc2c1Sc1cc(Cl)ccc1N- InChIKey
NMMOMLJMOXFFRO-UHFFFAOYSA-N- Molecular formula
- C17H14Cl2N2O2S
- Average molar mass
- 381.3 g/mol
- Monoisotopic mass
- 380.0153043
Names & identifiers
- Preferred name
- Ethyl 3-[(2-amino-5-chlorophenyl)sulfanyl]-5-chloro-1h-indole-2-carboxylate
- IUPAC
- ethyl 3-(2-amino-5-chlorophenyl)sulfanyl-5-chloro-1H-indole-2-carboxylate
Names & synonyms
206256-25-9ethyl 3-[(2-amino-5-chlorophenyl)sulfanyl]-5-chloro-1h-indole-2-carboxylateEthyl 3-((2-amino-5-chlorophenyl)thio)-5-chloro-1H-indole-2-carboxylateEthyl 3-(2-amino-5-chlorophenylthio)-5-chloroindole-2-carboxylate1H-Indole-2-carboxylic acid, 3-((2-amino-5-chlorophenyl)thio)-5-chloro-, ethyl ester1H-Indole-2-carboxylic acid, 3-[(2-amino-5-chlorophenyl)thio]-5-chloro-, ethyl esterCHEMBL84510DTXSID10174640ethyl 3-(2-amino-5-chloro-phenyl)sulfanyl-5-chloro-1H-indole-2-carboxylate
Database identifiers
- CAS
206256-25-9- PubChem CID
- 469730
- DTXSID
DTXSID10174640- ChEMBL
CHEMBL84510
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…