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600728-67-4 | (R)-3-Acetyl-4-isopropyl-5,5-diphenyloxazolidine-2-thione
CAS No: 600728-67-4 Catalog No: AG01EWLS MDL No:
Product Description
Catalog Number:
AG01EWLS
Chemical Name:
(R)-3-Acetyl-4-isopropyl-5,5-diphenyloxazolidine-2-thione
CAS Number:
600728-67-4
Molecular Formula:
C20H21NO2S
Molecular Weight:
339.4512
IUPAC Name:
1-[(4R)-5,5-diphenyl-4-propan-2-yl-2-sulfanylidene-1,3-oxazolidin-3-yl]ethanone
InChI:
InChI=1S/C20H21NO2S/c1-14(2)18-20(16-10-6-4-7-11-16,17-12-8-5-9-13-17)23-19(24)21(18)15(3)22/h4-14,18H,1-3H3/t18-/m1/s1
InChI Key:
WJCFTHCUULIELA-GOSISDBHSA-N
SMILES:
CC([C@H]1N(C(=O)C)C(=S)OC1(c1ccccc1)c1ccccc1)C
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
339.129g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.453g/mol
Monoisotopic Mass:
339.129g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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