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732992-66-4 | 2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}benzoic acid
CAS No: 732992-66-4 Catalog No: AG019ISY MDL No:MFCD04634186
Product Description
Catalog Number:
AG019ISY
Chemical Name:
2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}benzoic acid
CAS Number:
732992-66-4
Molecular Formula:
C17H15NO3S
Molecular Weight:
313.3709
MDL Number:
MFCD04634186
IUPAC Name:
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzoic acid
InChI:
InChI=1S/C17H15NO3S/c19-16(18-10-9-12-5-1-3-7-14(12)18)11-22-15-8-4-2-6-13(15)17(20)21/h1-8H,9-11H2,(H,20,21)
InChI Key:
LEBUKXMEKYOCML-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1SCC(=O)N1CCc2c1cccc2
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.077g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.371g/mol
Monoisotopic Mass:
313.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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