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26576-80-7 | 5H-Indeno[1,2-b]pyridin-5-one, 3-acetyl-1,4-dihydro-2-methyl-4-phenyl-
CAS No: 26576-80-7 Catalog No: AG002TR5 MDL No:MFCD00219291
Product Description
Catalog Number:
AG002TR5
Chemical Name:
5H-Indeno[1,2-b]pyridin-5-one, 3-acetyl-1,4-dihydro-2-methyl-4-phenyl-
CAS Number:
26576-80-7
Molecular Formula:
C21H17NO2
Molecular Weight:
315.3652
MDL Number:
MFCD00219291
IUPAC Name:
3-acetyl-2-methyl-4-phenyl-1,4-dihydroindeno[1,2-b]pyridin-5-one
InChI:
InChI=1S/C21H17NO2/c1-12-17(13(2)23)18(14-8-4-3-5-9-14)19-20(22-12)15-10-6-7-11-16(15)21(19)24/h3-11,18,22H,1-2H3
InChI Key:
HPIIQBIZUYHMQI-UHFFFAOYSA-N
SMILES:
CC(=O)C1=C(C)NC2=C(C1c1ccccc1)C(=O)c1c2cccc1
Properties
Complexity:
636
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.126g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.372g/mol
Monoisotopic Mass:
315.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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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