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88324-87-2 | 1-Propanone, 1-[4-(cyclohexylthio)phenyl]-2-methyl-2-(4-morpholinyl)-
CAS No: 88324-87-2 Catalog No: AG0047LH MDL No:
Product Description
Catalog Number:
AG0047LH
Chemical Name:
1-Propanone, 1-[4-(cyclohexylthio)phenyl]-2-methyl-2-(4-morpholinyl)-
CAS Number:
88324-87-2
Molecular Formula:
C20H29NO2S
Molecular Weight:
347.5148
IUPAC Name:
1-(4-cyclohexylsulfanylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
InChI:
InChI=1S/C20H29NO2S/c1-20(2,21-12-14-23-15-13-21)19(22)16-8-10-18(11-9-16)24-17-6-4-3-5-7-17/h8-11,17H,3-7,12-15H2,1-2H3
InChI Key:
WXPGVXSNULOUHK-UHFFFAOYSA-N
SMILES:
O=C(C(N1CCOCC1)(C)C)c1ccc(cc1)SC1CCCCC1
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.192g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.517g/mol
Monoisotopic Mass:
347.192g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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