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821782-78-9 | 4-Thiazolidinone, 2-(4-hydroxyphenyl)-3-(2-pyrimidinyl)-
CAS No: 821782-78-9 Catalog No: AG005ISS MDL No:
Product Description
Catalog Number:
AG005ISS
Chemical Name:
4-Thiazolidinone, 2-(4-hydroxyphenyl)-3-(2-pyrimidinyl)-
CAS Number:
821782-78-9
Molecular Formula:
C13H11N3O2S
Molecular Weight:
273.3103
IUPAC Name:
2-(4-hydroxyphenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one
InChI:
InChI=1S/C13H11N3O2S/c17-10-4-2-9(3-5-10)12-16(11(18)8-19-12)13-14-6-1-7-15-13/h1-7,12,17H,8H2
InChI Key:
NDWBGDABMGFUOL-UHFFFAOYSA-N
SMILES:
O=C1CSC(N1c1ncccn1)c1ccc(cc1)O
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.057g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.31g/mol
Monoisotopic Mass:
273.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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