Basic information
- Standard SMILES
CCOC(=O)[C@H]1CSC(C(C)NC(=O)Cc2cc(F)cc(F)c2)=N1- InChIKey
NUUQRHUOHKLDBC-WCRCJTMVSA-N- Molecular formula
- C16H18F2N2O3S
- Average molar mass
- 356.4 g/mol
Names & identifiers
- Preferred name
- (S)-2-[1-(3,5-difluorophenylacetamido)ethyl]-4-ethoxycarbonyl-2-thiazoline
- IUPAC
- ethyl (4S)-2-[1-[[2-(3,5-difluorophenyl)acetyl]amino]ethyl]-4,5-dihydro-1,3-thiazole-4-carboxylate
Names & synonyms
SCHEMBL6327079NUUQRHUOHKLDBC-WCRCJTMVSA-N(S)-2-[1-(3,5-difluorophenylacetamido)ethyl]-4-ethoxycarbonyl-2-thiazoline
Database identifiers
- PubChem CID
- 69743302
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 494
Related reactions
2 records
Compound notes
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