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142224-24-6 | 2(3H)-Benzothiazolone, 3-(2-phenylethyl)-
CAS No: 142224-24-6 Catalog No: AG001I0F MDL No:
Product Description
Catalog Number:
AG001I0F
Chemical Name:
2(3H)-Benzothiazolone, 3-(2-phenylethyl)-
CAS Number:
142224-24-6
Molecular Formula:
C15H13NOS
Molecular Weight:
255.3348
IUPAC Name:
3-(2-phenylethyl)-1,3-benzothiazol-2-one
InChI:
InChI=1S/C15H13NOS/c17-15-16(11-10-12-6-2-1-3-7-12)13-8-4-5-9-14(13)18-15/h1-9H,10-11H2
InChI Key:
LGMFJCRUWDREHO-UHFFFAOYSA-N
SMILES:
O=c1sc2c(n1CCc1ccccc1)cccc2
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.072g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.335g/mol
Monoisotopic Mass:
255.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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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