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821782-86-9 | 4-Thiazolidinone, 2-(4-hydroxyphenyl)-5-methyl-3-(2-pyrimidinyl)-
CAS No: 821782-86-9 Catalog No: AG0057U4 MDL No:
Product Description
Catalog Number:
AG0057U4
Chemical Name:
4-Thiazolidinone, 2-(4-hydroxyphenyl)-5-methyl-3-(2-pyrimidinyl)-
CAS Number:
821782-86-9
Molecular Formula:
C14H13N3O2S
Molecular Weight:
287.3369
IUPAC Name:
2-(4-hydroxyphenyl)-5-methyl-3-pyrimidin-2-yl-1,3-thiazolidin-4-one
InChI:
InChI=1S/C14H13N3O2S/c1-9-12(19)17(14-15-7-2-8-16-14)13(20-9)10-3-5-11(18)6-4-10/h2-9,13,18H,1H3
InChI Key:
DERCQVUIQUAEOO-UHFFFAOYSA-N
SMILES:
CC1SC(N(C1=O)c1ncccn1)c1ccc(cc1)O
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.073g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.337g/mol
Monoisotopic Mass:
287.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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