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894588-98-8 | N-benzyl-N-methyl-4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxamide
CAS No: 894588-98-8 Catalog No: AG00H4DR MDL No:
Product Description
Catalog Number:
AG00H4DR
Chemical Name:
N-benzyl-N-methyl-4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxamide
CAS Number:
894588-98-8
IUPAC Name:
N-benzyl-N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
InChI:
InChI=1S/C16H18N2O2/c1-18(11-12-7-3-2-4-8-12)16(19)15-13-9-5-6-10-14(13)20-17-15/h2-4,7-8H,5-6,9-11H2,1H3
InChI Key:
PUGHAJXYKMWQLF-UHFFFAOYSA-N
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.137g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.332g/mol
Monoisotopic Mass:
270.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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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