Basic information
- Standard SMILES
CC(=O)SC1CCN(C(C)=NC(=O)OCc2ccc([N+](=O)[O-])cc2)C1- InChIKey
LJTNYVOZZOHKIM-UHFFFAOYSA-N- Molecular formula
- C16H19N3O5S
- Average molar mass
- 365.4 g/mol
Names & identifiers
- Preferred name
- 3-Acetylthio-1-(N-p-nitrobenzyloxycarbonylacetimidoyl)pyrrolidine
- IUPAC
- S-[1-[C-methyl-N-[(4-nitrophenyl)methoxycarbonyl]carbonimidoyl]pyrrolidin-3-yl] ethanethioate
Names & synonyms
SCHEMBL9168648LJTNYVOZZOHKIM-UHFFFAOYSA-N3-Acetylthio-1-(N-p-nitrobenzyloxycarbonylacetimidoyl)pyrrolidine
Database identifiers
- PubChem CID
- 54037145
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 540
Related reactions
4 records
Compound notes
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