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332385-05-4 | N,N-Diphenyl-2-(5-pyridin-3-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CAS No: 332385-05-4 Catalog No: AG01F4VZ MDL No:
Product Description
Catalog Number:
AG01F4VZ
Chemical Name:
N,N-Diphenyl-2-(5-pyridin-3-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CAS Number:
332385-05-4
Molecular Formula:
C21H16N4O2S
Molecular Weight:
388.4423
IUPAC Name:
N,N-diphenyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
InChI:
InChI=1S/C21H16N4O2S/c26-19(15-28-21-24-23-20(27-21)16-8-7-13-22-14-16)25(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14H,15H2
InChI Key:
DYFZHJJIMOBSOU-UHFFFAOYSA-N
SMILES:
O=C(N(c1ccccc1)c1ccccc1)CSc1nnc(o1)c1cccnc1
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.099g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
388.445g/mol
Monoisotopic Mass:
388.099g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
97.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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