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86109-43-5 | Acetamide, 2-(2-benzoxazolylthio)-N-phenyl-
CAS No: 86109-43-5 Catalog No: AG004TXH MDL No:
Product Description
Catalog Number:
AG004TXH
Chemical Name:
Acetamide, 2-(2-benzoxazolylthio)-N-phenyl-
CAS Number:
86109-43-5
Molecular Formula:
C15H12N2O2S
Molecular Weight:
284.3330
IUPAC Name:
2-(1,3-benzoxazol-2-ylsulfanyl)-N-phenylacetamide
InChI:
InChI=1S/C15H12N2O2S/c18-14(16-11-6-2-1-3-7-11)10-20-15-17-12-8-4-5-9-13(12)19-15/h1-9H,10H2,(H,16,18)
InChI Key:
YMSYXWPCDBRESY-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1)CSc1nc2c(o1)cccc2
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.062g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.333g/mol
Monoisotopic Mass:
284.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.4A^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 |
| 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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