7-Amino-2-benzhydryloxycarbonyl-3-(2-mesyloxyprop-1-en-1-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene
Basic information
- Standard SMILES
CC(=CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(N)C2SC1)OS(C)(=O)=O- InChIKey
CXYJGRFQFNXKDL-UHFFFAOYSA-N- Molecular formula
- C24H24N2O6S2
- Average molar mass
- 500.6 g/mol
Names & identifiers
- Preferred name
- 7-Amino-2-benzhydryloxycarbonyl-3-(2-mesyloxyprop-1-en-1-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene
- IUPAC
- benzhydryl 7-amino-3-(2-methylsulfonyloxyprop-1-enyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Names & synonyms
SCHEMBL10977392CXYJGRFQFNXKDL-UHFFFAOYSA-N7-amino-2-benzhydryloxycarbonyl-3-(2-mesyloxyprop-1-en-1-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene
Database identifiers
- PubChem CID
- 53746085
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 940
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Related reactions
2 records
Compound notes
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