Benzyl 3-chloro-6-(3-methoxycarbonylprop-2-en-1-yl)-7-oxo-3-phenylsulphinyl-1-azabicyclo[3.2.0]heptane-2-carboxylate
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
COC(=O)C=CCC1C(=O)N2C1CC(Cl)(S(=O)c1ccccc1)C2C(=O)OCc1ccccc1- InChIKey
UYNBQAYBHCNXAJ-UHFFFAOYSA-N- Molecular formula
- C25H24ClNO6S
- Average molar mass
- 502 g/mol
- Monoisotopic mass
- 501.1012864
Names & identifiers
- Preferred name
- Benzyl 3-chloro-6-(3-methoxycarbonylprop-2-en-1-yl)-7-oxo-3-phenylsulphinyl-1-azabicyclo[3.2.0]heptane-2-carboxylate
- IUPAC
- benzyl 3-(benzenesulfinyl)-3-chloro-6-(4-methoxy-4-oxobut-2-enyl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate
Names & synonyms
SCHEMBL11111314UYNBQAYBHCNXAJ-UHFFFAOYSA-NBenzyl 3-chloro-6-(3-methoxycarbonylprop-2-en-1-yl)-7-oxo-3-phenylsulphinyl-1-azabicyclo[3.2.0] heptane-2-carboxylateBenzyl 3-chloro-6-(3-methoxycarbonylprop-2-en-1-yl)-7-oxo-3-phenylsulphinyl-1-azabicyclo[3.2.0]heptane-2-carboxylate
Database identifiers
- PubChem CID
- 54378895
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 837
Related reactions
4 records
Compound notes
Loading…