Basic information
- Standard SMILES
CCNC(=O)[C@@H]1C[C@H](SCc2ccc(OC)cc2)CN1CC- InChIKey
OUBPWBYWXXEKKO-HOTGVXAUSA-N- Molecular formula
- C17H26N2O2S
- Average molar mass
- 322.5 g/mol
Names & identifiers
- Preferred name
- (2S, 4S)-2-Ethylcarbamoyl-1-ethyl-4-(4-methoxybenzylthio)pyrrolidine
- IUPAC
- (2S,4S)-N,1-diethyl-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-2-carboxamide
Names & synonyms
OUBPWBYWXXEKKO-HOTGVXAUSA-N(2S, 4S)-2-Ethylcarbamoyl-1-ethyl-4-(4-methoxybenzylthio)pyrrolidine
Database identifiers
- PubChem CID
- 14880288
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 346
Related reactions
4 records
Compound notes
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