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88324-80-5 | 1-Propanone, 1,1'-(thiodi-4,1-phenylene)bis[2-methyl-2-(4-morpholinyl)-
CAS No: 88324-80-5 Catalog No: AG0089TF MDL No:
Product Description
Catalog Number:
AG0089TF
Chemical Name:
1-Propanone, 1,1'-(thiodi-4,1-phenylene)bis[2-methyl-2-(4-morpholinyl)-
CAS Number:
88324-80-5
Molecular Formula:
C28H36N2O4S
Molecular Weight:
496.6614
IUPAC Name:
2-methyl-1-[4-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]sulfanylphenyl]-2-morpholin-4-ylpropan-1-one
InChI:
InChI=1S/C28H36N2O4S/c1-27(2,29-13-17-33-18-14-29)25(31)21-5-9-23(10-6-21)35-24-11-7-22(8-12-24)26(32)28(3,4)30-15-19-34-20-16-30/h5-12H,13-20H2,1-4H3
InChI Key:
WDQHLEJIUFERJO-UHFFFAOYSA-N
SMILES:
O=C(C(N1CCOCC1)(C)C)c1ccc(cc1)Sc1ccc(cc1)C(=O)C(N1CCOCC1)(C)C
Properties
Complexity:
655
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
496.24g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
496.666g/mol
Monoisotopic Mass:
496.24g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
84.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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