Basic information
- CAS
86674-68-2- Standard SMILES
CC(=O)N[C@@H](CSc1cc(Cl)c(-c2cc(Cl)ccc2Cl)cc1Cl)C(=O)O- InChIKey
WVMQGIZYHFNBMZ-HNNXBMFYSA-N- Molecular formula
- C17H13Cl4NO3S
- Average molar mass
- 453.2 g/mol
- Monoisotopic mass
- 450.937025
Names & identifiers
- Preferred name
- L-Cysteine, N-acetyl-S-(2,2',5,5'-tetrachloro(1,1'-biphenyl)-4-yl)-
- IUPAC
- (2R)-2-acetamido-3-[2,5-dichloro-4-(2,5-dichlorophenyl)phenyl]sulfanylpropanoic acid
Names & synonyms
86674-68-2DTXSID201007009L-Cysteine, N-acetyl-S-(2,2',5,5'-tetrachloro(1,1'-biphenyl)-4-yl)-N-(1-Hydroxyethylidene)-S-(2,2',5,5'-tetrachloro[1,1'-biphenyl]-4-yl)-L-cysteineN-(1-Hydroxyethylidene)-S-(2,2',5,5'-tetrachloro[1,1'-biphenyl]-4-yl)cysteine
Database identifiers
- CAS
86674-68-2- PubChem CID
- 190072
- DTXSID
DTXSID201007009
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 512
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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