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921611-04-3 | 4-Thiazolidinone, 2-(3,4-dimethylphenyl)-3-(phenylmethoxy)-
CAS No: 921611-04-3 Catalog No: AG006HB8 MDL No:
Product Description
Catalog Number:
AG006HB8
Chemical Name:
4-Thiazolidinone, 2-(3,4-dimethylphenyl)-3-(phenylmethoxy)-
CAS Number:
921611-04-3
Molecular Formula:
C18H19NO2S
Molecular Weight:
313.4140
IUPAC Name:
2-(3,4-dimethylphenyl)-3-phenylmethoxy-1,3-thiazolidin-4-one
InChI:
InChI=1S/C18H19NO2S/c1-13-8-9-16(10-14(13)2)18-19(17(20)12-22-18)21-11-15-6-4-3-5-7-15/h3-10,18H,11-12H2,1-2H3
InChI Key:
PIPUUCFLIGCYOZ-UHFFFAOYSA-N
SMILES:
O=C1CSC(N1OCc1ccccc1)c1ccc(c(c1)C)C
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.114g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.415g/mol
Monoisotopic Mass:
313.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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