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88352-02-7 | 2,4(1H,3H)-Pyrimidinedione, 6-[2-(2-furanyl)-4-oxo-3-thiazolidinyl]-
CAS No: 88352-02-7 Catalog No: AG0045AU MDL No:
Product Description
Catalog Number:
AG0045AU
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 6-[2-(2-furanyl)-4-oxo-3-thiazolidinyl]-
CAS Number:
88352-02-7
Molecular Formula:
C11H9N3O4S
Molecular Weight:
279.2719
IUPAC Name:
6-[2-(furan-2-yl)-4-oxo-1,3-thiazolidin-3-yl]-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C11H9N3O4S/c15-8-4-7(12-11(17)13-8)14-9(16)5-19-10(14)6-2-1-3-18-6/h1-4,10H,5H2,(H2,12,13,15,17)
InChI Key:
YAPHLGGJRLXUAD-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)[nH]c(c1)N1C(=O)CSC1c1ccco1
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.031g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
279.27g/mol
Monoisotopic Mass:
279.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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