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88324-70-3 | 1-Propanone, 1-[4-(butylthio)phenyl]-2-methyl-2-(4-morpholinyl)-
CAS No: 88324-70-3 Catalog No: AG0047DX MDL No:
Product Description
Catalog Number:
AG0047DX
Chemical Name:
1-Propanone, 1-[4-(butylthio)phenyl]-2-methyl-2-(4-morpholinyl)-
CAS Number:
88324-70-3
Molecular Formula:
C18H27NO2S
Molecular Weight:
321.4775
IUPAC Name:
1-(4-butylsulfanylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
InChI:
InChI=1S/C18H27NO2S/c1-4-5-14-22-16-8-6-15(7-9-16)17(20)18(2,3)19-10-12-21-13-11-19/h6-9H,4-5,10-14H2,1-3H3
InChI Key:
PWVWDQXAABDRCD-UHFFFAOYSA-N
SMILES:
CCCCSc1ccc(cc1)C(=O)C(N1CCOCC1)(C)C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.176g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.479g/mol
Monoisotopic Mass:
321.176g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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