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300801-39-2 | 9-[2-(Dibenzylamino)ethyl]-6-methyl-2,3,4
CAS No: 300801-39-2 Catalog No: AG01FOGZ MDL No:
Product Description
Catalog Number:
AG01FOGZ
Chemical Name:
9-[2-(Dibenzylamino)ethyl]-6-methyl-2,3,4
CAS Number:
300801-39-2
IUPAC Name:
9-[2-(dibenzylamino)ethyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one
InChI:
InChI=1S/C29H30N2O/c1-22-15-16-27-26(19-22)25-13-8-14-28(32)29(25)31(27)18-17-30(20-23-9-4-2-5-10-23)21-24-11-6-3-7-12-24/h2-7,9-12,15-16,19H,8,13-14,17-18,20-21H2,1H3
InChI Key:
OHGLORUDWRVTKT-UHFFFAOYSA-N
Properties
Complexity:
588
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.236g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
422.572g/mol
Monoisotopic Mass:
422.236g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
25.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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