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189325-20-0 | Thiourea, N-(1-acetyl-2,3-dihydro-3-oxo-1H-indol-2-yl)-
CAS No: 189325-20-0 Catalog No: AG002IAI MDL No:
Product Description
Catalog Number:
AG002IAI
Chemical Name:
Thiourea, N-(1-acetyl-2,3-dihydro-3-oxo-1H-indol-2-yl)-
CAS Number:
189325-20-0
Molecular Formula:
C11H11N3O2S
Molecular Weight:
249.2889
IUPAC Name:
(1-acetyl-3-oxo-2H-indol-2-yl)thiourea
InChI:
InChI=1S/C11H11N3O2S/c1-6(15)14-8-5-3-2-4-7(8)9(16)10(14)13-11(12)17/h2-5,10H,1H3,(H3,12,13,17)
InChI Key:
BAYGZCXMYVTCSA-UHFFFAOYSA-N
SMILES:
NC(=S)NC1N(C(=O)C)c2c(C1=O)cccc2
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.057g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.288g/mol
Monoisotopic Mass:
249.057g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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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