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160857-64-7 | Acetamide, N-[4-[[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-1(2H)-pyridinyl]amino]sulfonyl]phenyl]-
CAS No: 160857-64-7 Catalog No: AG001VFN MDL No:
Product Description
Catalog Number:
AG001VFN
Chemical Name:
Acetamide, N-[4-[[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-1(2H)-pyridinyl]amino]sulfonyl]phenyl]-
CAS Number:
160857-64-7
Molecular Formula:
C21H20ClN5O4S
Molecular Weight:
473.9326
IUPAC Name:
N-[4-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide
InChI:
InChI=1S/C21H20ClN5O4S/c1-14(28)23-18-6-8-19(9-7-18)32(29,30)26-27-12-10-16(11-13-27)21-25-24-20(31-21)15-2-4-17(22)5-3-15/h2-10,26H,11-13H2,1H3,(H,23,28)
InChI Key:
KUBAWDKHYOSDOA-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(cc1)S(=O)(=O)NN1CCC(=CC1)c1nnc(o1)c1ccc(cc1)Cl
Properties
Complexity:
789
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
473.092g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
473.932g/mol
Monoisotopic Mass:
473.092g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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