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168828-89-5 | (S)-2-((3-(3-Fluoro-4-morpholinophenyl)-2-oxooxazolidin-5-yl)methyl)isoindoline-1,3-dione
CAS No: 168828-89-5 Catalog No: AG007V7R MDL No:MFCD18382488
Product Description
Catalog Number:
AG007V7R
Chemical Name:
(S)-2-((3-(3-Fluoro-4-morpholinophenyl)-2-oxooxazolidin-5-yl)methyl)isoindoline-1,3-dione
CAS Number:
168828-89-5
Molecular Formula:
C22H20FN3O5
Molecular Weight:
425.4097
MDL Number:
MFCD18382488
IUPAC Name:
2-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
InChI:
InChI=1S/C22H20FN3O5/c23-18-11-14(5-6-19(18)24-7-9-30-10-8-24)25-12-15(31-22(25)29)13-26-20(27)16-3-1-2-4-17(16)21(26)28/h1-6,11,15H,7-10,12-13H2/t15-/m1/s1
InChI Key:
FKZUTWSVQLXKQE-OAHLLOKOSA-N
SMILES:
O=C1O[C@H](CN1c1ccc(c(c1)F)N1CCOCC1)CN1C(=O)c2c(C1=O)cccc2
UNII:
BW94IJR3DS
Properties
Complexity:
706
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
425.139g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
425.416g/mol
Monoisotopic Mass:
425.139g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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