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153804-43-4 | 2-Oxazolidinone,5-[[(3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy]methyl]-3-(1,1-dimethylethyl)-
CAS No: 153804-43-4 Catalog No: AG007HIK MDL No:
Product Description
Catalog Number:
AG007HIK
Chemical Name:
2-Oxazolidinone,5-[[(3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy]methyl]-3-(1,1-dimethylethyl)-
CAS Number:
153804-43-4
Molecular Formula:
C17H23NO3S
Molecular Weight:
321.4344
IUPAC Name:
3-tert-butyl-5-(3,4-dihydro-2H-thiochromen-8-yloxymethyl)-1,3-oxazolidin-2-one
InChI:
InChI=1S/C17H23NO3S/c1-17(2,3)18-10-13(21-16(18)19)11-20-14-8-4-6-12-7-5-9-22-15(12)14/h4,6,8,13H,5,7,9-11H2,1-3H3
InChI Key:
FDTOJWREYUBOPR-UHFFFAOYSA-N
SMILES:
O=C1OC(CN1C(C)(C)C)COc1cccc2c1SCCC2
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.14g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.435g/mol
Monoisotopic Mass:
321.14g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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