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14015-97-5 | 3(2H)-Benzothiazoleacetamide, N,N-diethyl-2-oxo-
CAS No: 14015-97-5 Catalog No: AG0070DO MDL No:
Product Description
Catalog Number:
AG0070DO
Chemical Name:
3(2H)-Benzothiazoleacetamide, N,N-diethyl-2-oxo-
CAS Number:
14015-97-5
Molecular Formula:
C13H16N2O2S
Molecular Weight:
264.3433
IUPAC Name:
N,N-diethyl-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
InChI:
InChI=1S/C13H16N2O2S/c1-3-14(4-2)12(16)9-15-10-7-5-6-8-11(10)18-13(15)17/h5-8H,3-4,9H2,1-2H3
InChI Key:
YVHBNAOKUAYEHO-UHFFFAOYSA-N
SMILES:
CCN(C(=O)Cn1c(=O)sc2c1cccc2)CC
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.093g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.343g/mol
Monoisotopic Mass:
264.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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