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51495-00-2 | 1-(4-methoxyphenyl)-2-phenyl-4,5,6,7-tetrahydro-1H-indol-4-one
CAS No: 51495-00-2 Catalog No: AG00IXFV MDL No:MFCD00232289
Product Description
Catalog Number:
AG00IXFV
Chemical Name:
1-(4-methoxyphenyl)-2-phenyl-4,5,6,7-tetrahydro-1H-indol-4-one
CAS Number:
51495-00-2
Molecular Formula:
C21H19NO2
Molecular Weight:
317.3811
MDL Number:
MFCD00232289
IUPAC Name:
1-(4-methoxyphenyl)-2-phenyl-6,7-dihydro-5H-indol-4-one
InChI:
InChI=1S/C21H19NO2/c1-24-17-12-10-16(11-13-17)22-19-8-5-9-21(23)18(19)14-20(22)15-6-3-2-4-7-15/h2-4,6-7,10-14H,5,8-9H2,1H3
InChI Key:
LEMQANPFHDCCBQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)n1c(cc2c1CCCC2=O)c1ccccc1
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.142g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.388g/mol
Monoisotopic Mass:
317.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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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