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114145-41-4 | 7-Diethylamino-4-piperidin-1-yl-chromen-2-one
CAS No: 114145-41-4 Catalog No: AG01FA85 MDL No:
Product Description
Catalog Number:
AG01FA85
Chemical Name:
7-Diethylamino-4-piperidin-1-yl-chromen-2-one
CAS Number:
114145-41-4
Molecular Formula:
C18H24N2O2
Molecular Weight:
300.3954
IUPAC Name:
7-(diethylamino)-4-piperidin-1-ylchromen-2-one
InChI:
InChI=1S/C18H24N2O2/c1-3-19(4-2)14-8-9-15-16(20-10-6-5-7-11-20)13-18(21)22-17(15)12-14/h8-9,12-13H,3-7,10-11H2,1-2H3
InChI Key:
ZHUGFOCPIGBKDO-UHFFFAOYSA-N
SMILES:
CCN(c1ccc2c(c1)oc(=O)cc2N1CCCCC1)CC
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.184g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.402g/mol
Monoisotopic Mass:
300.184g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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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