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N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

Formula: C25H25Cl2N3O2S

SMILES: CCC(C)(C)C1CCC2=C(C1)SC(NC(=O)C1=C(C)ON=C1C1=C(Cl)C=CC=C1Cl)=C2C#N

IUPAC: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

InChI: InChI=1/C25H25Cl2N3O2S/c1-5-25(3,4)14-9-10-15-16(12-28)24(33-19(15)11-14)29-23(31)20-13(2)32-30-22(20)21-17(26)7-6-8-18(21)27/h6-8,14H,5,9-11H2,1-4H3,(H,29,31)

Composition: C (59.76%), H (5.02%), Cl (14.11%), N (8.36%), O (6.37%), S (6.38%)

Molar Mass: 502.45

Atom Count: 58

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 501.1044536
Formal Charge 0
FSP3 0.4
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey AHBGLVOYQAWAKL-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 134.74
Topological Polar Surface Area 78.92
Polarizability 51.62
Ring Count 4
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C25H25Cl2N3O2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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