Home Carboxys (6R,7R)-Benzhydryl 7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

(6R,7R)-Benzhydryl 7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

CAS No.:
36923-21-4
Catalog Number:
AG00I7B2
Molecular Formula:
C20H18N2O3S
Molecular Weight:
366.4335
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>98.0%(HPLC)
1 week
United States
$184
- +
Product Description
Catalog Number:
AG00I7B2
Chemical Name:
(6R,7R)-Benzhydryl 7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Number:
36923-21-4
Molecular Formula:
C20H18N2O3S
Molecular Weight:
366.4335
MDL Number:
MFCD09954373
IUPAC Name:
benzhydryl (6R,7R)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
InChI:
InChI=1S/C20H18N2O3S/c21-16-18(23)22-15(11-12-26-19(16)22)20(24)25-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11,16-17,19H,12,21H2/t16-,19-/m1/s1
InChI Key:
NYYBPASOTOAXQW-VQIMIIECSA-N
SMILES:
N[C@@H]1C(=O)N2[C@@H]1SCC=C2C(=O)OC(c1ccccc1)c1ccccc1
Properties
Complexity:
564  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
366.104g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
366.435g/mol
Monoisotopic Mass:
366.104g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
97.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties