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N-[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-4-carboxamide

N-[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-4-carboxamide

Formula: C20H25N3O2S

SMILES: CCC(C)(C)C1CCC2=C(C1)SC(NC(=O)C1=CC=NC=C1)=C2C(N)=O

IUPAC: N-[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-4-carboxamide

InChI: InChI=1/C20H25N3O2S/c1-4-20(2,3)13-5-6-14-15(11-13)26-19(16(14)17(21)24)23-18(25)12-7-9-22-10-8-12/h7-10,13H,4-6,11H2,1-3H3,(H2,21,24)(H,23,25)

Composition: C (64.66%), H (6.78%), N (11.31%), O (8.61%), S (8.63%)

Molar Mass: 371.5

Atom Count: 51

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 371.166748231
Formal Charge 0
FSP3 0.45
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey HRXWOQMFFZXASA-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 104.97
Topological Polar Surface Area 85.08
Polarizability 39.24
Ring Count 3
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C20H25N3O2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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