Basic information
- Standard SMILES
CCOC(=O)COc1ccc([C@@H]2[C@@H](SCC3(c4ccccc4)OCC(C)(C)CO3)C(=O)N2c2ccccc2)cc1- InChIKey
JNHHCVGHZFNLFF-FQLXRVMXSA-N- Molecular formula
- C32H35NO6S
- Average molar mass
- 561.7 g/mol
Names & identifiers
- Preferred name
- ethyl [4-((2R,3R)-3-{[(5,5-dimethyl-2-phenyl-1,3-dioxan-2-yl)methyl]thio}-4-oxo-1-phenylazetidin-2-yl)phenoxy]acetate
- IUPAC
- ethyl 2-[4-[(2R,3R)-3-[(5,5-dimethyl-2-phenyl-1,3-dioxan-2-yl)methylsulfanyl]-4-oxo-1-phenylazetidin-2-yl]phenoxy]acetate
Names & synonyms
JNHHCVGHZFNLFF-FQLXRVMXSA-Nethyl [4-((2R,3R)-3-{[(5,5-dimethyl-2-phenyl-1,3-dioxan-2-yl)methyl]thio}-4-oxo-1-phenylazetidin-2-yl)phenoxy]acetate
Database identifiers
- PubChem CID
- 86619084
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 99.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 836
Related reactions
2 records
Compound notes
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