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138536-13-7 | Ethanone, 1-[4-methyl-5-[2-(phenylmethoxy)ethyl]-2-thiazolyl]-2-phenyl-
CAS No: 138536-13-7 Catalog No: AG0019F0 MDL No:
Product Description
Catalog Number:
AG0019F0
Chemical Name:
Ethanone, 1-[4-methyl-5-[2-(phenylmethoxy)ethyl]-2-thiazolyl]-2-phenyl-
CAS Number:
138536-13-7
Molecular Formula:
C21H21NO2S
Molecular Weight:
351.4619
IUPAC Name:
1-[4-methyl-5-(2-phenylmethoxyethyl)-1,3-thiazol-2-yl]-2-phenylethanone
InChI:
InChI=1S/C21H21NO2S/c1-16-20(12-13-24-15-18-10-6-3-7-11-18)25-21(22-16)19(23)14-17-8-4-2-5-9-17/h2-11H,12-15H2,1H3
InChI Key:
PHIZNHRNEWUJAX-UHFFFAOYSA-N
SMILES:
Cc1nc(sc1CCOCc1ccccc1)C(=O)Cc1ccccc1
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.129g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.464g/mol
Monoisotopic Mass:
351.129g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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