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2-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-tert-butylacetamide

2-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-tert-butylacetamide

Formula: C14H16BrN3O2S

SMILES: CC(C)(C)NC(=O)CSC1=NN=C(O1)C1=CC=C(Br)C=C1

IUPAC: 2-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-tert-butylacetamide

InChI: InChI=1S/C14H16BrN3O2S/c1-14(2,3)16-11(19)8-21-13-18-17-12(20-13)9-4-6-10(15)7-5-9/h4-7H,8H2,1-3H3,(H,16,19)

Composition: C (45.41%), H (4.36%), Br (21.58%), N (11.35%), O (8.64%), S (8.66%)

Molar Mass: 370.27

Atom Count: 37

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 369.014661
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey WFNRZBQVXVHOLX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 98.7
Topological Polar Surface Area 68.02
Polarizability 33.87
Ring Count 2
Rotatable Bond Count 5

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C14H16BrN3O2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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