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153119-21-2 | 1-(4-Phenyl-2-piperidino-thiazol-5-yl)-3-(2,5-dihydro-4-phenyl-2-piperidin-1-ylidene-onium-thiazole-5-ylidene)-2-oxo-cyclobuten-4-olate
CAS No: 153119-21-2 Catalog No: AG00AKUB MDL No:
Product Description
Catalog Number:
AG00AKUB
Chemical Name:
1-(4-Phenyl-2-piperidino-thiazol-5-yl)-3-(2,5-dihydro-4-phenyl-2-piperidin-1-ylidene-onium-thiazole-5-ylidene)-2-oxo-cyclobuten-4-olate
CAS Number:
153119-21-2
IUPAC Name:
(4E)-3-oxo-4-(4-phenyl-2-piperidin-1-ium-1-ylidene-1,3-thiazol-5-ylidene)-2-(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)cyclobuten-1-olate
InChI:
InChI=1S/C32H30N4O2S2/c37-27-23(29-25(21-13-5-1-6-14-21)33-31(39-29)35-17-9-3-10-18-35)28(38)24(27)30-26(22-15-7-2-8-16-22)34-32(40-30)36-19-11-4-12-20-36/h1-2,5-8,13-16H,3-4,9-12,17-20H2
InChI Key:
JFZZYCIPVITXTG-UHFFFAOYSA-N
Properties
Complexity:
1010
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
566.181g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
566.738g/mol
Monoisotopic Mass:
566.181g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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