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2D Structure
Also known as: 201856-53-3, (3r,4s)-1-benzoyl-3-(1-ethoxyethoxy)-4-phenyl-2-azetidinone, Schembl1134975, Amy16038, Akos016005641, Ac-23879
Molecular Formula
C20H21NO4
Molecular Weight
339.4  g/mol
InChI Key
XSYLUBKWRZCOQP-CXRLMVSZSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(3R,4S)-1-benzoyl-3-(1-ethoxyethoxy)-4-phenylazetidin-2-one
2.1.2 InChI
InChI=1S/C20H21NO4/c1-3-24-14(2)25-18-17(15-10-6-4-7-11-15)21(20(18)23)19(22)16-12-8-5-9-13-16/h4-14,17-18H,3H2,1-2H3/t14?,17-,18+/m0/s1
2.1.3 InChI Key
XSYLUBKWRZCOQP-CXRLMVSZSA-N
2.1.4 Canonical SMILES
CCOC(C)OC1C(N(C1=O)C(=O)C2=CC=CC=C2)C3=CC=CC=C3
2.1.5 Isomeric SMILES
CCOC(C)O[C@@H]1[C@@H](N(C1=O)C(=O)C2=CC=CC=C2)C3=CC=CC=C3
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 201856-53-3

2. (3r,4s)-1-benzoyl-3-(1-ethoxyethoxy)-4-phenyl-2-azetidinone

3. Schembl1134975

4. Amy16038

5. Akos016005641

6. Ac-23879

7. 856b533

8. A814313

9. J-501259

10. (3r,4s)-1-benzoyl-3-(1-ethoxyethoxy)-4-phenyl-azetidin-2-one

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 339.4 g/mol
Molecular Formula C20H21NO4
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass339.14705815 g/mol
Monoisotopic Mass339.14705815 g/mol
Topological Polar Surface Area55.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity468
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1