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88351-96-6 | 2,4(1H,3H)-Pyrimidinedione, 6-(4-oxo-2-phenyl-3-thiazolidinyl)-
CAS No: 88351-96-6 Catalog No: AG00899C MDL No:
Product Description
Catalog Number:
AG00899C
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 6-(4-oxo-2-phenyl-3-thiazolidinyl)-
CAS Number:
88351-96-6
Molecular Formula:
C13H11N3O3S
Molecular Weight:
289.3097
IUPAC Name:
6-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C13H11N3O3S/c17-10-6-9(14-13(19)15-10)16-11(18)7-20-12(16)8-4-2-1-3-5-8/h1-6,12H,7H2,(H2,14,15,17,19)
InChI Key:
MBSVTXMUEXLJJB-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)[nH]c(c1)N1C(=O)CSC1c1ccccc1
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.052g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
289.309g/mol
Monoisotopic Mass:
289.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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