3-(2-Aminoethylsulfanyl)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione;hydron;chloride
Basic information
- CAS
817172-29-5- Standard SMILES
CCOc1ccc(N2C(=O)CC(SCCN)C2=O)cc1.[Cl-].[H+]- InChIKey
QYQLQFGTVGIPED-UHFFFAOYSA-N- Molecular formula
- C14H19ClN2O3S
- Average molar mass
- 330.8 g/mol
- Monoisotopic mass
- 330.0804913
Names & identifiers
- Preferred name
- 3-(2-Aminoethylsulfanyl)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione;hydron;chloride
- IUPAC
- 3-(2-aminoethylsulfanyl)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione;hydron;chloride
Names & synonyms
3-(2-aminoethylsulfanyl)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione;hydron;chloride
Database identifiers
- CAS
817172-29-5- PubChem CID
- 653373
Properties
Computed structural properties
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 356
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Compound notes
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