Ethyl 2-(2-naphthalen-2-ylsulfanyl-4-oxoazetidin-1-yl)acetate
Basic information
- CAS
119005-30-0- Standard SMILES
CCOC(=O)CN1C(=O)CC1Sc1ccc2ccccc2c1- InChIKey
DQUHKQLVSSQSHB-UHFFFAOYSA-N- Molecular formula
- C17H17NO3S
- Average molar mass
- 315.4 g/mol
- Monoisotopic mass
- 315.09291458
Names & identifiers
- Preferred name
- Ethyl 2-(2-naphthalen-2-ylsulfanyl-4-oxoazetidin-1-yl)acetate
- IUPAC
- ethyl 2-(2-naphthalen-2-ylsulfanyl-4-oxoazetidin-1-yl)acetate
Names & synonyms
119005-30-0Ethyl 2-(2-naphthalen-2-ylsulfanyl-4-oxoazetidin-1-yl)acetateDTXSID208749221-AZETIDINEACETIC ACID, 2-(2-NAPHTHALENYLTHIO)-4Ethyl {2-[(naphthalen-2-yl)sulfanyl]-4-oxoazetidin-1-yl}acetate
Database identifiers
- CAS
119005-30-0- PubChem CID
- 86169
- DTXSID
DTXSID20874922- Nikkaji
- J1.561.400E
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 428
Experimental & physicochemical properties
LogP3.4
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Compound notes
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