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754215-54-8 | 4-Thiazolidinone, 3-(2,6-dimethylphenyl)-2-methylene-5-phenyl-
CAS No: 754215-54-8 Catalog No: AG005BIV MDL No:
Product Description
Catalog Number:
AG005BIV
Chemical Name:
4-Thiazolidinone, 3-(2,6-dimethylphenyl)-2-methylene-5-phenyl-
CAS Number:
754215-54-8
Molecular Formula:
C18H17NOS
Molecular Weight:
295.3987
IUPAC Name:
3-(2,6-dimethylphenyl)-2-methylidene-5-phenyl-1,3-thiazolidin-4-one
InChI:
InChI=1S/C18H17NOS/c1-12-8-7-9-13(2)16(12)19-14(3)21-17(18(19)20)15-10-5-4-6-11-15/h4-11,17H,3H2,1-2H3
InChI Key:
KOOHPKXTMWZDKE-UHFFFAOYSA-N
SMILES:
C=C1SC(C(=O)N1c1c(C)cccc1C)c1ccccc1
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.103g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.4g/mol
Monoisotopic Mass:
295.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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