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821783-93-1 | Ethanone, 1-[5-[5-[[2-(4-pyridinyl)ethyl]amino]pyrazinyl]-2-thienyl]-
CAS No: 821783-93-1 Catalog No: AG005163 MDL No:
Product Description
Catalog Number:
AG005163
Chemical Name:
Ethanone, 1-[5-[5-[[2-(4-pyridinyl)ethyl]amino]pyrazinyl]-2-thienyl]-
CAS Number:
821783-93-1
Molecular Formula:
C17H16N4OS
Molecular Weight:
324.4001
IUPAC Name:
1-[5-[5-(2-pyridin-4-ylethylamino)pyrazin-2-yl]thiophen-2-yl]ethanone
InChI:
InChI=1S/C17H16N4OS/c1-12(22)15-2-3-16(23-15)14-10-21-17(11-20-14)19-9-6-13-4-7-18-8-5-13/h2-5,7-8,10-11H,6,9H2,1H3,(H,19,21)
InChI Key:
GDRHTKHOBWKHKZ-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(s1)c1cnc(cn1)NCCc1ccncc1
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.104g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.402g/mol
Monoisotopic Mass:
324.104g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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