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27611-70-7 | Ethanone, 2-hydroxy-2-(1H-indol-3-yl)-1-(2-thienyl)-
CAS No: 27611-70-7 Catalog No: AG002U8A MDL No:
Product Description
Catalog Number:
AG002U8A
Chemical Name:
Ethanone, 2-hydroxy-2-(1H-indol-3-yl)-1-(2-thienyl)-
CAS Number:
27611-70-7
Molecular Formula:
C14H11NO2S
Molecular Weight:
257.3076
IUPAC Name:
2-hydroxy-2-(1H-indol-3-yl)-1-thiophen-2-ylethanone
InChI:
InChI=1S/C14H11NO2S/c16-13(14(17)12-6-3-7-18-12)10-8-15-11-5-2-1-4-9(10)11/h1-8,13,15-16H
InChI Key:
BRRURANANUWUGQ-UHFFFAOYSA-N
SMILES:
OC(c1c[nH]c2c1cccc2)C(=O)c1cccs1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.307g/mol
Monoisotopic Mass:
257.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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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