Basic information
- Standard SMILES
COC(=O)c1cc(Cl)ccc1NC(=O)COCC(=O)Nc1cccc(-c2ccsc2)c1- InChIKey
SQKXXTKEVWUNTJ-UHFFFAOYSA-N- Molecular formula
- C22H19ClN2O5S
- Average molar mass
- 458.9 g/mol
- Monoisotopic mass
- 458.0703206
Names & identifiers
- Preferred name
- Methyl 5-chloro-2-[[2-[2-oxo-2-(3-thiophen-3-ylanilino)ethoxy]acetyl]amino]benzoate
- IUPAC
- methyl 5-chloro-2-[[2-[2-oxo-2-(3-thiophen-3-ylanilino)ethoxy]acetyl]amino]benzoate
Names & synonyms
SCHEMBL1013298
Database identifiers
- PubChem CID
- 66876757
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 637
Related reactions
1 records
Compound notes
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