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2-(2-bromobenzamido)-N-(2-ethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

2-(2-bromobenzamido)-N-(2-ethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Formula: C24H23BrN2O2S

SMILES: CCC1=CC=CC=C1NC(=O)C1=C(NC(=O)C2=CC=CC=C2Br)SC2=C1CCCC2

IUPAC: 2-(2-bromobenzamido)-N-(2-ethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

InChI: InChI=1S/C24H23BrN2O2S/c1-2-15-9-3-7-13-19(15)26-23(29)21-17-11-5-8-14-20(17)30-24(21)27-22(28)16-10-4-6-12-18(16)25/h3-4,6-7,9-10,12-13H,2,5,8,11,14H2,1H3,(H,26,29)(H,27,28)

Composition: C (59.63%), H (4.80%), Br (16.53%), N (5.79%), O (6.62%), S (6.63%)

Molar Mass: 483.42

Atom Count: 53

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 482.066362
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey FIMKBBYYQHJSNO-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 128.08
Topological Polar Surface Area 58.2
Polarizability 47.04
Ring Count 4
Rotatable Bond Count 5

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C24H23BrN2O2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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