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87693-78-5 | 2,6-Piperazinedione, 4-benzoyl-1-(2-phenylethyl)-
CAS No: 87693-78-5 Catalog No: AG004GM9 MDL No:
Product Description
Catalog Number:
AG004GM9
Chemical Name:
2,6-Piperazinedione, 4-benzoyl-1-(2-phenylethyl)-
CAS Number:
87693-78-5
Molecular Formula:
C19H18N2O3
Molecular Weight:
322.3578
IUPAC Name:
4-benzoyl-1-(2-phenylethyl)piperazine-2,6-dione
InChI:
InChI=1S/C19H18N2O3/c22-17-13-20(19(24)16-9-5-2-6-10-16)14-18(23)21(17)12-11-15-7-3-1-4-8-15/h1-10H,11-14H2
InChI Key:
MXBNBHOOOJBWGF-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)N1CC(=O)N(C(=O)C1)CCc1ccccc1
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.132g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.364g/mol
Monoisotopic Mass:
322.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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