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1162-05-6 | 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-1,3-di-2-propyn-1-yl-
CAS No: 1162-05-6 Catalog No: AG000BW4 MDL No:
Product Description
Catalog Number:
AG000BW4
Chemical Name:
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-1,3-di-2-propyn-1-yl-
CAS Number:
1162-05-6
Molecular Formula:
C18H16N2O3
Molecular Weight:
308.3312
IUPAC Name:
5-ethyl-5-phenyl-1,3-bis(prop-2-ynyl)-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C18H16N2O3/c1-4-12-19-15(21)18(6-3,14-10-8-7-9-11-14)16(22)20(13-5-2)17(19)23/h1-2,7-11H,6,12-13H2,3H3
InChI Key:
OEUVEQRBJPSDFK-UHFFFAOYSA-N
SMILES:
CCC1(c2ccccc2)C(=O)N(CC#C)C(=O)N(C1=O)CC#C
NSC Number:
83968
Properties
Complexity:
573
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.116g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.337g/mol
Monoisotopic Mass:
308.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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