Basic information
- Standard SMILES
CSCCN1C[C@H](c2cccc(F)c2F)CC[C@@H](NC(=O)OC(C)(C)C)C1=O- InChIKey
CYFPOJXAXBWCQQ-CZUORRHYSA-N- Molecular formula
- C20H28F2N2O3S
- Average molar mass
- 414.5 g/mol
Names & identifiers
- Preferred name
- tert-butyl (3R,6S)-6-(2,3-difluorophenyl)-1-[2-(methylthio)ethyl]-2-oxoazepan-3-ylcarbamate
- IUPAC
- tert-butyl N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methylsulfanylethyl)-2-oxoazepan-3-yl]carbamate
Names & synonyms
CYFPOJXAXBWCQQ-CZUORRHYSA-Ntert-butyl (3R,6S)-6-(2,3-difluorophenyl)-1-[2-(methylthio)ethyl]-2-oxoazepan-3-ylcarbamatetert-butyl(3R,6S)-6-(2,3-difluorophenyl)-1-[2-(methylthio)ethyl]-2-oxoazepan-3-ylcarbamate
Database identifiers
- PubChem CID
- 86595038
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 544
Related reactions
28 records
Linked notes
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