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478047-44-8 | 2-[(3-methoxyphenyl)sulfanyl]-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethan-1-one
CAS No: 478047-44-8 Catalog No: AG00IU4T MDL No:MFCD02187102
Product Description
Catalog Number:
AG00IU4T
Chemical Name:
2-[(3-methoxyphenyl)sulfanyl]-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethan-1-one
CAS Number:
478047-44-8
Molecular Formula:
C19H17NO2S2
Molecular Weight:
355.4738
MDL Number:
MFCD02187102
IUPAC Name:
2-(3-methoxyphenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone
InChI:
InChI=1S/C19H17NO2S2/c1-13-18(24-19(20-13)14-7-4-3-5-8-14)17(21)12-23-16-10-6-9-15(11-16)22-2/h3-11H,12H2,1-2H3
InChI Key:
RYDUYUARQOIORT-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)SCC(=O)c1sc(nc1C)c1ccccc1
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.07g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.47g/mol
Monoisotopic Mass:
355.07g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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