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164534-34-3 | 1-(4-Methyl-2-morpholino-thiazol-5-yl)-3-(2,5-dihydro-4-methyl-2-morpholin-1-ylidene-onium-thiazol-5-ylidene)-2-oxo-cyclobuten-4-olate
CAS No: 164534-34-3 Catalog No: AG00ACP6 MDL No:
Product Description
Catalog Number:
AG00ACP6
Chemical Name:
1-(4-Methyl-2-morpholino-thiazol-5-yl)-3-(2,5-dihydro-4-methyl-2-morpholin-1-ylidene-onium-thiazol-5-ylidene)-2-oxo-cyclobuten-4-olate
CAS Number:
164534-34-3
IUPAC Name:
(4E)-4-(4-methyl-2-morpholin-4-ium-4-ylidene-1,3-thiazol-5-ylidene)-2-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-3-oxocyclobuten-1-olate
InChI:
InChI=1S/C20H22N4O4S2/c1-11-17(29-19(21-11)23-3-7-27-8-4-23)13-15(25)14(16(13)26)18-12(2)22-20(30-18)24-5-9-28-10-6-24/h3-10H2,1-2H3
InChI Key:
JTMSICWTZWHBFN-UHFFFAOYSA-N
Properties
Complexity:
796
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
446.108g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
446.54g/mol
Monoisotopic Mass:
446.108g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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