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112638-73-0 | 4,5-Imidazolidinedione, 2-[2-phenyl-2-(2-pyridinyl)ethyl]-
CAS No: 112638-73-0 Catalog No: AG008227 MDL No:
Product Description
Catalog Number:
AG008227
Chemical Name:
4,5-Imidazolidinedione, 2-[2-phenyl-2-(2-pyridinyl)ethyl]-
CAS Number:
112638-73-0
Molecular Formula:
C16H15N3O2
Molecular Weight:
281.3092
IUPAC Name:
2-(2-phenyl-2-pyridin-2-ylethyl)imidazolidine-4,5-dione
InChI:
InChI=1S/C16H15N3O2/c20-15-16(21)19-14(18-15)10-12(11-6-2-1-3-7-11)13-8-4-5-9-17-13/h1-9,12,14H,10H2,(H,18,20)(H,19,21)
InChI Key:
JSEWXWDERHIMDY-UHFFFAOYSA-N
SMILES:
O=C1NC(NC1=O)CC(c1ccccn1)c1ccccc1
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.116g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.315g/mol
Monoisotopic Mass:
281.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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