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68758-64-5 | 1-Ethyl-2-[3-(1-ethyl-1,4-dihydroquinoline-4-ylidene)-1-propenyl]naphtho[1,2-d]thiazole-1-ium
CAS No: 68758-64-5 Catalog No: AG00FOSX MDL No:
Product Description
Catalog Number:
AG00FOSX
Chemical Name:
1-Ethyl-2-[3-(1-ethyl-1,4-dihydroquinoline-4-ylidene)-1-propenyl]naphtho[1,2-d]thiazole-1-ium
CAS Number:
68758-64-5
IUPAC Name:
1-ethyl-2-[3-(1-ethylquinolin-1-ium-4-yl)prop-2-enylidene]benzo[e][1,3]benzothiazole
InChI:
InChI=1S/C27H25N2S/c1-3-28-19-18-21(22-12-7-8-14-24(22)28)11-9-15-26-29(4-2)27-23-13-6-5-10-20(23)16-17-25(27)30-26/h5-19H,3-4H2,1-2H3/q+1
InChI Key:
GDZGNEZLFOKVQF-UHFFFAOYSA-N
Properties
Complexity:
643
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.174g/mol
Formal Charge:
1
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
409.571g/mol
Monoisotopic Mass:
409.174g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
7.3
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