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2645-77-4 | 1,8(2H,5H)-Acridinedione, 3,4,6,7,9,10-hexahydro-3,3,6,6-tetramethyl-
CAS No: 2645-77-4 Catalog No: AG002TAE MDL No:
Product Description
Catalog Number:
AG002TAE
Chemical Name:
1,8(2H,5H)-Acridinedione, 3,4,6,7,9,10-hexahydro-3,3,6,6-tetramethyl-
CAS Number:
2645-77-4
Molecular Formula:
C17H23NO2
Molecular Weight:
273.3700
IUPAC Name:
3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
InChI:
InChI=1S/C17H23NO2/c1-16(2)6-12-10(14(19)8-16)5-11-13(18-12)7-17(3,4)9-15(11)20/h18H,5-9H2,1-4H3
InChI Key:
GPYNTJXDUGTLTO-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)CC2=C1CC1=C(N2)CC(CC1=O)(C)C
NSC Number:
665130
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.173g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.376g/mol
Monoisotopic Mass:
273.173g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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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