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821782-84-7 | 4-Thiazolidinone, 5-methyl-2-phenyl-3-(2-pyrimidinyl)-
CAS No: 821782-84-7 Catalog No: AG0057U6 MDL No:
Product Description
Catalog Number:
AG0057U6
Chemical Name:
4-Thiazolidinone, 5-methyl-2-phenyl-3-(2-pyrimidinyl)-
CAS Number:
821782-84-7
Molecular Formula:
C14H13N3OS
Molecular Weight:
271.3375
IUPAC Name:
5-methyl-2-phenyl-3-pyrimidin-2-yl-1,3-thiazolidin-4-one
InChI:
InChI=1S/C14H13N3OS/c1-10-12(18)17(14-15-8-5-9-16-14)13(19-10)11-6-3-2-4-7-11/h2-10,13H,1H3
InChI Key:
FNGOOCZZEFSMTR-UHFFFAOYSA-N
SMILES:
CC1SC(N(C1=O)c1ncccn1)c1ccccc1
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.078g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.338g/mol
Monoisotopic Mass:
271.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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