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921611-22-5 | Ethanone, 1-[2-(3,4-dimethylphenyl)-3-thiazolidinyl]-2-phenoxy-
CAS No: 921611-22-5 Catalog No: AG006HB3 MDL No:
Product Description
Catalog Number:
AG006HB3
Chemical Name:
Ethanone, 1-[2-(3,4-dimethylphenyl)-3-thiazolidinyl]-2-phenoxy-
CAS Number:
921611-22-5
Molecular Formula:
C19H21NO2S
Molecular Weight:
327.4405
IUPAC Name:
1-[2-(3,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone
InChI:
InChI=1S/C19H21NO2S/c1-14-8-9-16(12-15(14)2)19-20(10-11-23-19)18(21)13-22-17-6-4-3-5-7-17/h3-9,12,19H,10-11,13H2,1-2H3
InChI Key:
CVJWPKIGDLZJDR-UHFFFAOYSA-N
SMILES:
O=C(N1CCSC1c1ccc(c(c1)C)C)COc1ccccc1
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.129g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.442g/mol
Monoisotopic Mass:
327.129g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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