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164534-27-4 | Cyclobutenediylium, 1,3-dihydroxy-2,4-bis[2-(4-morpholinyl)-4-phenyl-5-thiazolyl]-, bis(inner salt) (9CI)
CAS No: 164534-27-4 Catalog No: AG001UXK MDL No:
Product Description
Catalog Number:
AG001UXK
Chemical Name:
Cyclobutenediylium, 1,3-dihydroxy-2,4-bis[2-(4-morpholinyl)-4-phenyl-5-thiazolyl]-, bis(inner salt) (9CI)
CAS Number:
164534-27-4
IUPAC Name:
(4E)-4-(2-morpholin-4-ium-4-ylidene-4-phenyl-1,3-thiazol-5-ylidene)-2-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-3-oxocyclobuten-1-olate
InChI:
InChI=1S/C30H26N4O4S2/c35-25-21(27-23(19-7-3-1-4-8-19)31-29(39-27)33-11-15-37-16-12-33)26(36)22(25)28-24(20-9-5-2-6-10-20)32-30(40-28)34-13-17-38-18-14-34/h1-10H,11-18H2
InChI Key:
ZBRIVTREYXMTQD-UHFFFAOYSA-N
Properties
Complexity:
1020
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
570.14g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
570.682g/mol
Monoisotopic Mass:
570.14g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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