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314035-95-5 | 3-(8-Methyl-1,2,3a,4,5,6-hexahydro-pyrazino-[3,2
CAS No: 314035-95-5 Catalog No: AG01FO4Q MDL No:
Product Description
Catalog Number:
AG01FO4Q
Chemical Name:
3-(8-Methyl-1,2,3a,4,5,6-hexahydro-pyrazino-[3,2
CAS Number:
314035-95-5
IUPAC Name:
3-(12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)propanoic acid
InChI:
InChI=1S/C18H22N2O2/c1-12-5-6-15-14(11-12)13-3-2-4-16-18(13)20(15)10-9-19(16)8-7-17(21)22/h5-6,11,16H,2-4,7-10H2,1H3,(H,21,22)
InChI Key:
PLWCFMWYVHEBMD-UHFFFAOYSA-N
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.168g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.386g/mol
Monoisotopic Mass:
298.168g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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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