Home Other Building Blocks 3-Azetidinepropanoic acid, 1-(4-fluorophenyl)-2-oxo-4-[4-(phenylmethoxy)phenyl]-, (3R,4S)-

3-Azetidinepropanoic acid, 1-(4-fluorophenyl)-2-oxo-4-[4-(phenylmethoxy)phenyl]-, (3R,4S)-

CAS No.:
204589-82-2
Catalog Number:
AG0029L2
Molecular Formula:
C25H22FNO4
Molecular Weight:
419.4449
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Product Description
Catalog Number:
AG0029L2
Chemical Name:
3-Azetidinepropanoic acid, 1-(4-fluorophenyl)-2-oxo-4-[4-(phenylmethoxy)phenyl]-, (3R,4S)-
CAS Number:
204589-82-2
Molecular Formula:
C25H22FNO4
Molecular Weight:
419.4449
MDL Number:
MFCD13194800
IUPAC Name:
3-[(3R,4S)-1-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)azetidin-3-yl]propanoic acid
InChI:
InChI=1S/C25H22FNO4/c26-19-8-10-20(11-9-19)27-24(22(25(27)30)14-15-23(28)29)18-6-12-21(13-7-18)31-16-17-4-2-1-3-5-17/h1-13,22,24H,14-16H2,(H,28,29)/t22-,24-/m1/s1
InChI Key:
YOJPXOLPAHAPAQ-ISKFKSNPSA-N
SMILES:
OC(=O)CC[C@H]1C(=O)N([C@@H]1c1ccc(cc1)OCc1ccccc1)c1ccc(cc1)F
Properties
Complexity:
607  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
419.153g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
419.452g/mol
Monoisotopic Mass:
419.153g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties