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17768-11-5 | 2,4(1H,3H)-Pyrimidinedione, 5-(2-phenyldiazenyl)-6-(phenylmethyl)-
CAS No: 17768-11-5 Catalog No: AG0025GA MDL No:
Product Description
Catalog Number:
AG0025GA
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-(2-phenyldiazenyl)-6-(phenylmethyl)-
CAS Number:
17768-11-5
Molecular Formula:
C17H14N4O2
Molecular Weight:
306.3187
IUPAC Name:
6-benzyl-5-phenyldiazenyl-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C17H14N4O2/c22-16-15(21-20-13-9-5-2-6-10-13)14(18-17(23)19-16)11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,18,19,22,23)
InChI Key:
SRBPDMRPMODFEW-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(Cc2ccccc2)c(c(=O)[nH]1)N=Nc1ccccc1
NSC Number:
210575
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.112g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
306.325g/mol
Monoisotopic Mass:
306.112g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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