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117378-57-1 | Morpholine, 4,4'-[2-[(2-aminophenyl)thio]-1,3-dioxo-1,3-propanediyl]bis- (9CI)
CAS No: 117378-57-1 Catalog No: AG000E75 MDL No:
Product Description
Catalog Number:
AG000E75
Chemical Name:
Morpholine, 4,4'-[2-[(2-aminophenyl)thio]-1,3-dioxo-1,3-propanediyl]bis- (9CI)
CAS Number:
117378-57-1
Molecular Formula:
C17H23N3O4S
Molecular Weight:
365.4472
IUPAC Name:
2-(2-aminophenyl)sulfanyl-1,3-dimorpholin-4-ylpropane-1,3-dione
InChI:
InChI=1S/C17H23N3O4S/c18-13-3-1-2-4-14(13)25-15(16(21)19-5-9-23-10-6-19)17(22)20-7-11-24-12-8-20/h1-4,15H,5-12,18H2
InChI Key:
QNJXBKSAQGODPK-UHFFFAOYSA-N
SMILES:
O=C(C(C(=O)N1CCOCC1)Sc1ccccc1N)N1CCOCC1
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.141g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
365.448g/mol
Monoisotopic Mass:
365.141g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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