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519151-93-0 | 3-[4-(2,2-dimethoxyethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-N,N-dimethylbenzene-1-sulfonamide
CAS No: 519151-93-0 Catalog No: AG019HFF MDL No:MFCD03479987
Product Description
Catalog Number:
AG019HFF
Chemical Name:
3-[4-(2,2-dimethoxyethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-N,N-dimethylbenzene-1-sulfonamide
CAS Number:
519151-93-0
Molecular Formula:
C14H20N4O4S2
Molecular Weight:
372.4630
MDL Number:
MFCD03479987
IUPAC Name:
3-[4-(2,2-dimethoxyethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-N,N-dimethylbenzenesulfonamide
InChI:
InChI=1S/C14H20N4O4S2/c1-17(2)24(19,20)11-7-5-6-10(8-11)13-15-16-14(23)18(13)9-12(21-3)22-4/h5-8,12H,9H2,1-4H3,(H,16,23)
InChI Key:
XRJMUPRFQUGPSV-UHFFFAOYSA-N
SMILES:
COC(Cn1c(S)nnc1c1cccc(c1)S(=O)(=O)N(C)C)OC
Properties
Complexity:
584
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.093g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
372.458g/mol
Monoisotopic Mass:
372.093g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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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