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300820-69-3 | Thiophene-2-carboxylic acid benzo[1,3]dioxol-5-ylamide
CAS No: 300820-69-3 Catalog No: AG01F836 MDL No:
Product Description
Catalog Number:
AG01F836
Chemical Name:
Thiophene-2-carboxylic acid benzo[1,3]dioxol-5-ylamide
CAS Number:
300820-69-3
Molecular Formula:
C12H9NO3S
Molecular Weight:
247.2698
IUPAC Name:
N-(1,3-benzodioxol-5-yl)thiophene-2-carboxamide
InChI:
InChI=1S/C12H9NO3S/c14-12(11-2-1-5-17-11)13-8-3-4-9-10(6-8)16-7-15-9/h1-6H,7H2,(H,13,14)
InChI Key:
WEFYRXKTLVGOFU-UHFFFAOYSA-N
SMILES:
O=C(c1cccs1)Nc1ccc2c(c1)OCO2
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.03g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.268g/mol
Monoisotopic Mass:
247.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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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