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748776-47-8 | N,N-DIETHYL-3-(4-ISOBUTYL-5-MERCAPTO-4H-[1,2,4]TRIAZOL-3-YL)-BENZENESULFONAMIDE
CAS No: 748776-47-8 Catalog No: AG00G3WT MDL No:MFCD03653059
Product Description
Catalog Number:
AG00G3WT
Chemical Name:
N,N-DIETHYL-3-(4-ISOBUTYL-5-MERCAPTO-4H-[1,2,4]TRIAZOL-3-YL)-BENZENESULFONAMIDE
CAS Number:
748776-47-8
Molecular Formula:
C16H24N4O2S2
Molecular Weight:
368.5174
MDL Number:
MFCD03653059
IUPAC Name:
N,N-diethyl-3-[4-(2-methylpropyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]benzenesulfonamide
InChI:
InChI=1S/C16H24N4O2S2/c1-5-19(6-2)24(21,22)14-9-7-8-13(10-14)15-17-18-16(23)20(15)11-12(3)4/h7-10,12H,5-6,11H2,1-4H3,(H,18,23)
InChI Key:
LQUAGBSCHVJCFG-UHFFFAOYSA-N
SMILES:
CCN(S(=O)(=O)c1cccc(c1)c1nnc(n1CC(C)C)S)CC
Properties
Complexity:
579
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.134g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
368.514g/mol
Monoisotopic Mass:
368.134g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| 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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