Basic information
- Standard SMILES
C=C(C)C(C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)C(NC(=O)COc2ccccc2)C1SSc1nc2ccccc2o1- InChIKey
FHVMJPXJOIQLBE-UHFFFAOYSA-N- Molecular formula
- C36H31N3O6S2
- Average molar mass
- 665.8 g/mol
Names & identifiers
- Preferred name
- 2-[4-(Benzoxazol-2-yldithio)-3-phenoxyacetamido-2-oxoazetidin-1-yl]-3-methylene-butyric acid diphenylmethyl ester
- IUPAC
- benzhydryl 2-[2-(1,3-benzoxazol-2-yldisulfanyl)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-methylbut-3-enoate
Names & synonyms
SCHEMBL11300377FHVMJPXJOIQLBE-UHFFFAOYSA-N2-[4-(benzoxazol-2-yldithio)-3-phenoxyacetamido-2-oxoazetidin-1-yl]-3-methylene-butyric acid diphenylmethyl ester
Database identifiers
- PubChem CID
- 53800147
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 14
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,070
Related reactions
3 records
Compound notes
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