(2,3,4,5,6-Pentachlorophenyl) 2-[[3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate
Basic information
- CAS
32296-65-4- Standard SMILES
O=C(CNC(=O)C(CSCc1ccccc1)NC(=O)OCc1ccccc1)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl- InChIKey
POZQFVGVTRRADS-UHFFFAOYSA-N- Molecular formula
- C26H21Cl5N2O5S
- Average molar mass
- 650.8 g/mol
- Monoisotopic mass
- 647.961381
Names & identifiers
- Preferred name
- (2,3,4,5,6-Pentachlorophenyl) 2-[[3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate
- IUPAC
- (2,3,4,5,6-pentachlorophenyl) 2-[[3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate
Names & synonyms
NSC120018NSC-12001832296-65-4
Database identifiers
- CAS
32296-65-4- PubChem CID
- 274172
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 787
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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