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N-(2-fluorophenyl)-6-methyl-2-[2-(2-methylpiperidin-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

N-(2-fluorophenyl)-6-methyl-2-[2-(2-methylpiperidin-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Formula: C24H30FN3O2S

SMILES: CC1CCC2=C(C1)SC(NC(=O)CN1CCCCC1C)=C2C(=O)NC1=CC=CC=C1F

IUPAC: N-(2-fluorophenyl)-6-methyl-2-[2-(2-methylpiperidin-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

InChI: InChI=1/C24H30FN3O2S/c1-15-10-11-17-20(13-15)31-24(27-21(29)14-28-12-6-5-7-16(28)2)22(17)23(30)26-19-9-4-3-8-18(19)25/h3-4,8-9,15-16H,5-7,10-14H2,1-2H3,(H,26,30)(H,27,29)

Composition: C (64.99%), H (6.82%), F (4.28%), N (9.47%), O (7.21%), S (7.23%)

Molar Mass: 443.58

Atom Count: 61

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 443.204276555
Formal Charge 0
FSP3 0.5
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey WHUDWKMLMXDFHW-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 124.9
Topological Polar Surface Area 61.44
Polarizability 46.33
Ring Count 4
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C24H30FN3O2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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