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330858-74-7 | Carbamic acid, (6-methyl-2-benzothiazolyl)-, 1,1-dimethylethyl ester (9CI)
CAS No: 330858-74-7 Catalog No: AG00CQLG MDL No:
Product Description
Catalog Number:
AG00CQLG
Chemical Name:
Carbamic acid, (6-methyl-2-benzothiazolyl)-, 1,1-dimethylethyl ester (9CI)
CAS Number:
330858-74-7
IUPAC Name:
tert-butyl N-(6-methyl-1,3-benzothiazol-2-yl)carbamate
InChI:
InChI=1S/C13H16N2O2S/c1-8-5-6-9-10(7-8)18-11(14-9)15-12(16)17-13(2,3)4/h5-7H,1-4H3,(H,14,15,16)
InChI Key:
LLUQSCDHKKUWSZ-UHFFFAOYSA-N
Properties
Complexity:
317
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:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.343g/mol
Monoisotopic Mass:
264.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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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