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81093-59-6 | 2-Pyrrolidinone,1-(2-benzothiazolyl)-(9CI)
CAS No: 81093-59-6 Catalog No: AG00GJFE MDL No:MFCD07353913
Product Description
Catalog Number:
AG00GJFE
Chemical Name:
2-Pyrrolidinone,1-(2-benzothiazolyl)-(9CI)
CAS Number:
81093-59-6
Molecular Formula:
C11H10N2OS
Molecular Weight:
218.2749
MDL Number:
MFCD07353913
IUPAC Name:
1-(1,3-benzothiazol-2-yl)pyrrolidin-2-one
InChI:
InChI=1S/C11H10N2OS/c14-10-6-3-7-13(10)11-12-8-4-1-2-5-9(8)15-11/h1-2,4-5H,3,6-7H2
InChI Key:
IPVOAMZAIZLBIF-UHFFFAOYSA-N
SMILES:
O=C1CCCN1c1nc2c(s1)cccc2
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.274g/mol
Monoisotopic Mass:
218.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.4A^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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