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1017601-63-6 | 4(1H)-Pyridinone, 3-(4-chlorophenyl)-5,6-dihydro-1-(phenylmethyl)-
CAS No: 1017601-63-6 Catalog No: AG0005F4 MDL No:
Product Description
Catalog Number:
AG0005F4
Chemical Name:
4(1H)-Pyridinone, 3-(4-chlorophenyl)-5,6-dihydro-1-(phenylmethyl)-
CAS Number:
1017601-63-6
Molecular Formula:
C18H16ClNO
Molecular Weight:
297.7787
IUPAC Name:
1-benzyl-5-(4-chlorophenyl)-2,3-dihydropyridin-4-one
InChI:
InChI=1S/C18H16ClNO/c19-16-8-6-15(7-9-16)17-13-20(11-10-18(17)21)12-14-4-2-1-3-5-14/h1-9,13H,10-12H2
InChI Key:
GHESOWUDMAIONA-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C1=CN(CCC1=O)Cc1ccccc1
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.092g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.782g/mol
Monoisotopic Mass:
297.092g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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