Diethyl 2-acetamido-2-[(5-chloro-1-benzothiophen-3-yl)methyl]propanedioate
Basic information
- CAS
23906-21-0- Standard SMILES
CCOC(=O)C(Cc1csc2ccc(Cl)cc12)(NC(C)=O)C(=O)OCC- InChIKey
DWHGTEPKFDHCPM-UHFFFAOYSA-N- Molecular formula
- C18H20ClNO5S
- Average molar mass
- 397.9 g/mol
- Monoisotopic mass
- 397.0750716
Names & identifiers
- Preferred name
- Diethyl 2-acetamido-2-[(5-chloro-1-benzothiophen-3-yl)methyl]propanedioate
- IUPAC
- diethyl 2-acetamido-2-[(5-chloro-1-benzothiophen-3-yl)methyl]propanedioate
Names & synonyms
23906-21-0NSC 274961NSC274961diethyl 2-acetamido-2-[(5-chloro-1-benzothiophen-3-yl)methyl]propanedioateSCHEMBL21411545DTXSID70313699NSC-274961Diethyl acetamido[(5-chloro-1-benzothiophen-3-yl)methyl]propanedioate
Database identifiers
- CAS
23906-21-0- PubChem CID
- 321747
- DTXSID
DTXSID70313699
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 526
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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