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477847-70-4 | (2E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(4-phenoxyphenyl)prop-2-en-1-one
CAS No: 477847-70-4 Catalog No: AG00IN71 MDL No:MFCD02571085
Product Description
Catalog Number:
AG00IN71
Chemical Name:
(2E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(4-phenoxyphenyl)prop-2-en-1-one
CAS Number:
477847-70-4
Molecular Formula:
C25H19NO2S
Molecular Weight:
397.4889
MDL Number:
MFCD02571085
IUPAC Name:
1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(4-phenoxyphenyl)prop-2-en-1-one
InChI:
InChI=1S/C25H19NO2S/c1-18-24(29-25(26-18)20-8-4-2-5-9-20)23(27)17-14-19-12-15-22(16-13-19)28-21-10-6-3-7-11-21/h2-17H,1H3
InChI Key:
HYCDVOUNAXCQHF-UHFFFAOYSA-N
SMILES:
O=C(c1sc(nc1C)c1ccccc1)/C=C/c1ccc(cc1)Oc1ccccc1
Properties
Complexity:
545
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.114g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
397.492g/mol
Monoisotopic Mass:
397.114g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.6
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