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304865-12-1 | 2,4(1H,3H)-Pyrimidinedione, 1-(2,5-diphenyl-4-oxazolyl)-
CAS No: 304865-12-1 Catalog No: AG0030AK MDL No:
Product Description
Catalog Number:
AG0030AK
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-(2,5-diphenyl-4-oxazolyl)-
CAS Number:
304865-12-1
Molecular Formula:
C19H13N3O3
Molecular Weight:
331.3248
IUPAC Name:
1-(2,5-diphenyl-1,3-oxazol-4-yl)pyrimidine-2,4-dione
InChI:
InChI=1S/C19H13N3O3/c23-15-11-12-22(19(24)20-15)17-16(13-7-3-1-4-8-13)25-18(21-17)14-9-5-2-6-10-14/h1-12H,(H,20,23,24)
InChI Key:
QKCBCEPGAIGAAA-UHFFFAOYSA-N
SMILES:
O=c1ccn(c(=O)[nH]1)c1nc(oc1c1ccccc1)c1ccccc1
NSC Number:
744113
Properties
Complexity:
538
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.096g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.331g/mol
Monoisotopic Mass:
331.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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