Basic information
- Standard SMILES
COC(=O)c1cc(Cl)ccc1NC(=O)CSCC(=O)Nc1ccc(C2CCCCC2)cc1- InChIKey
OCIKSSORDWKDLH-UHFFFAOYSA-N- Molecular formula
- C24H27ClN2O4S
- Average molar mass
- 475 g/mol
Names & identifiers
- Preferred name
- Methyl 5-chloro-2-[[2-[2-(4-cyclohexylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate
- IUPAC
- methyl 5-chloro-2-[[2-[2-(4-cyclohexylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate
Names & synonyms
SCHEMBL1015881
Database identifiers
- PubChem CID
- 66877459
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 635
Related reactions
1 records
Compound notes
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