Cas no 109883-94-5 (Diphenylmethyl (6R,7R)-3-(Chloromethyl)-8-oxo-7-(phenylmethylene)amino-5-Thia-1-azabicyclo4.2.0oct-2-ene-2-carboxylic Acid Ester)

Diphenylmethyl (6R,7R)-3-(Chloromethyl)-8-oxo-7-(phenylmethylene)amino-5-Thia-1-azabicyclo4.2.0oct-2-ene-2-carboxylic Acid Ester structure
109883-94-5 structure
Product Name:Diphenylmethyl (6R,7R)-3-(Chloromethyl)-8-oxo-7-(phenylmethylene)amino-5-Thia-1-azabicyclo4.2.0oct-2-ene-2-carboxylic Acid Ester
CAS No:109883-94-5
MF:C28H23ClN2O3S
MW:503.011824846268
CID:5830363
PubChem ID:13850801
Update Time:2024-01-16

Diphenylmethyl (6R,7R)-3-(Chloromethyl)-8-oxo-7-(phenylmethylene)amino-5-Thia-1-azabicyclo4.2.0oct-2-ene-2-carboxylic Acid Ester Chemical and Physical Properties

Names and Identifiers

    • Diphenylmethyl (6R,7R)-3-(Chloromethyl)-8-oxo-7-[(phenylmethylene)amino]-5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid Ester
    • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-(chloromethyl)-8-oxo-7-[(phenylmethylene)amino]-, diphenylmethyl ester, (6R,7R)-
    • 109883-94-5
    • Diphenylmethyl (6R,7R)-3-(Chloromethyl)-8-oxo-7-(phenylmethylene)amino-5-Thia-1-azabicyclo4.2.0oct-2-ene-2-carboxylic Acid Ester
    • Inchi: 1S/C28H23ClN2O3S/c29-16-22-18-35-27-23(30-17-19-10-4-1-5-11-19)26(32)31(27)24(22)28(33)34-25(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,17,23,25,27H,16,18H2/t23-,27-/m1/s1
    • InChI Key: CYPVIHKHWSGIIK-YIXXDRMTSA-N
    • SMILES: N12[C@@]([H])([C@H](N=CC3=CC=CC=C3)C1=O)SCC(CCl)=C2C(OC(C1=CC=CC=C1)C1=CC=CC=C1)=O

Computed Properties

  • Exact Mass: 502.1117915g/mol
  • Monoisotopic Mass: 502.1117915g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 8
  • Complexity: 810
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5
  • Topological Polar Surface Area: 84.3?2

Diphenylmethyl (6R,7R)-3-(Chloromethyl)-8-oxo-7-(phenylmethylene)amino-5-Thia-1-azabicyclo4.2.0oct-2-ene-2-carboxylic Acid Ester Pricemore >>

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