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Home > Pyridines > 1211941-77-3
1211941-77-3 | (2E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(pyridin-3-yl)prop-2-en-1-one
CAS No: 1211941-77-3 Catalog No: AG00IQP7 MDL No:MFCD16170353
Product Description
Catalog Number:
AG00IQP7
Chemical Name:
(2E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(pyridin-3-yl)prop-2-en-1-one
CAS Number:
1211941-77-3
Molecular Formula:
C18H14N2OS
Molecular Weight:
306.3816
MDL Number:
MFCD16170353
IUPAC Name:
(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-pyridin-3-ylprop-2-en-1-one
InChI:
InChI=1S/C18H14N2OS/c1-13-17(16(21)10-9-14-6-5-11-19-12-14)22-18(20-13)15-7-3-2-4-8-15/h2-12H,1H3/b10-9+
InChI Key:
YQTAFKDHGRSNSR-MDZDMXLPSA-N
SMILES:
O=C(c1sc(nc1C)c1ccccc1)/C=C/c1cccnc1
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
0
XLogP3:
4
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