Stk387033
Basic information
- CAS
5440-50-6- Standard SMILES
CCOC(=O)C(Cc1ccccc1Cl)(NC(C)=O)C(=O)OCC- InChIKey
WJRRZECETOECSA-UHFFFAOYSA-N- Molecular formula
- C16H20ClNO5
- Average molar mass
- 341.78 g/mol
- Monoisotopic mass
- 341.1030004
Names & identifiers
- Preferred name
- Stk387033
- IUPAC
- diethyl 2-acetamido-2-[(2-chlorophenyl)methyl]propanedioate
Names & synonyms
5440-50-6STK387033DTXSID60281116RefChem:382246DTXCID70232270diethyl 2-acetamido-2-[(2-chlorophenyl)methyl]propanedioateNSC20175CBMicro_017805diethyl (acetylamino)(2-chlorobenzyl)propanedioateSCHEMBL5860010CCG-6226NSC-20175
Show more names
AKOS005431534BIM-0017618.P001DS-000952ST50448560diethyl (acetylamino)(2-chlorobenzyl)malonateSR-01000204672SR-01000204672-1Diethyl acetamido[(2-chlorophenyl)methyl]propanedioate
Database identifiers
- CAS
5440-50-6- PubChem CID
- 227953
- DTXSID
DTXSID60281116- Nikkaji
- J1.970.194H
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 422
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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