(2r,4s)-4-Acetylthio-n-allyloxycarbonyl-2-(1-naphthylmethyl)pyrrolidine
Basic information
- Standard SMILES
C=CCOC(=O)N1C[C@@H](SC(C)=O)C[C@H]1Cc1cccc2ccccc12- InChIKey
SHVVBMQMNJBBER-MOPGFXCFSA-N- Molecular formula
- C21H23NO3S
- Average molar mass
- 369.5 g/mol
- Monoisotopic mass
- 369.13986477
Names & identifiers
- Preferred name
- (2r,4s)-4-Acetylthio-n-allyloxycarbonyl-2-(1-naphthylmethyl)pyrrolidine
- IUPAC
- prop-2-enyl (2R,4S)-4-acetylsulfanyl-2-(naphthalen-1-ylmethyl)pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL7852448SHVVBMQMNJBBER-MOPGFXCFSA-N(2r,4s)-4-acetylthio-n-allyloxycarbonyl-2-(1-naphthylmethyl)pyrrolidine
Database identifiers
- PubChem CID
- 57136262
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 523
Related reactions
1 records
Compound notes
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