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380436-84-0 | N,N-diethyl-3-[4-(2-phenylethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide
CAS No: 380436-84-0 Catalog No: AG019HFU MDL No:MFCD03476320
Product Description
Catalog Number:
AG019HFU
Chemical Name:
N,N-diethyl-3-[4-(2-phenylethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide
CAS Number:
380436-84-0
Molecular Formula:
C20H24N4O2S2
Molecular Weight:
416.5602
MDL Number:
MFCD03476320
IUPAC Name:
N,N-diethyl-3-[4-(2-phenylethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]benzenesulfonamide
InChI:
InChI=1S/C20H24N4O2S2/c1-3-23(4-2)28(25,26)18-12-8-11-17(15-18)19-21-22-20(27)24(19)14-13-16-9-6-5-7-10-16/h5-12,15H,3-4,13-14H2,1-2H3,(H,22,27)
InChI Key:
KKSZTGUVOUDGQT-UHFFFAOYSA-N
SMILES:
CCN(S(=O)(=O)c1cccc(c1)c1nnc(n1CCc1ccccc1)S)CC
Properties
Complexity:
664
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.134g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
416.558g/mol
Monoisotopic Mass:
416.134g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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