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N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-({5-[3-(2,4-dichlorophenoxy)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-({5-[3-(2,4-dichlorophenoxy)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide

Formula: C22H20Cl2N4O3S2

SMILES: ClC1=CC=C(OCCCC2=NN=C(O2)SCC(=O)NC2=C(C#N)C3=C(CCCC3)S2)C(Cl)=C1

IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-({5-[3-(2,4-dichlorophenoxy)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide

InChI: InChI=1S/C22H20Cl2N4O3S2/c23-13-7-8-17(16(24)10-13)30-9-3-6-20-27-28-22(31-20)32-12-19(29)26-21-15(11-25)14-4-1-2-5-18(14)33-21/h7-8,10H,1-6,9,12H2,(H,26,29)

Composition: C (50.48%), H (3.85%), Cl (13.54%), N (10.70%), O (9.17%), S (12.25%)

Molar Mass: 523.45

Atom Count: 53

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 522.0353883
Formal Charge 0
FSP3 0.36
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey LNNOXAGWXAXNBS-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 132.6
Topological Polar Surface Area 101.04
Polarizability 49.61
Ring Count 4
Rotatable Bond Count 9

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C22H20Cl2N4O3S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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