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821782-82-5 | 4-Thiazolidinone, 2-(2-phenylethenyl)-3-(2-pyrimidinyl)-
CAS No: 821782-82-5 Catalog No: AG008LQ4 MDL No:
Product Description
Catalog Number:
AG008LQ4
Chemical Name:
4-Thiazolidinone, 2-(2-phenylethenyl)-3-(2-pyrimidinyl)-
CAS Number:
821782-82-5
Molecular Formula:
C15H13N3OS
Molecular Weight:
283.3482
IUPAC Name:
2-(2-phenylethenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one
InChI:
InChI=1S/C15H13N3OS/c19-13-11-20-14(8-7-12-5-2-1-3-6-12)18(13)15-16-9-4-10-17-15/h1-10,14H,11H2
InChI Key:
GUPBVBPNZNSLRK-UHFFFAOYSA-N
SMILES:
O=C1CSC(N1c1ncccn1)C=Cc1ccccc1
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.078g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.349g/mol
Monoisotopic Mass:
283.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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