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Home > Pyridines > 477847-80-6
477847-80-6 | (2E)-1-[4-methyl-2-(pyridin-2-yl)-1,3-thiazol-5-yl]-3-phenylprop-2-en-1-one
CAS No: 477847-80-6 Catalog No: AG00IN72 MDL No:MFCD02186950
Product Description
Catalog Number:
AG00IN72
Chemical Name:
(2E)-1-[4-methyl-2-(pyridin-2-yl)-1,3-thiazol-5-yl]-3-phenylprop-2-en-1-one
CAS Number:
477847-80-6
Molecular Formula:
C18H14N2OS
Molecular Weight:
306.3816
MDL Number:
MFCD02186950
IUPAC Name:
1-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-3-phenylprop-2-en-1-one
InChI:
InChI=1S/C18H14N2OS/c1-13-17(16(21)11-10-14-7-3-2-4-8-14)22-18(20-13)15-9-5-6-12-19-15/h2-12H,1H3
InChI Key:
GWEHMBUQINDNDP-UHFFFAOYSA-N
SMILES:
O=C(c1sc(nc1C)c1ccccn1)/C=C/c1ccccc1
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.083g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.383g/mol
Monoisotopic Mass:
306.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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