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2-methoxyethyl 2-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

2-methoxyethyl 2-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Formula: C23H23ClN2O5S

SMILES: COCCOC(=O)C1=C(NC(=O)C2=C(C)ON=C2C2=CC=CC=C2Cl)SC2=C1CCCC2

IUPAC: 2-methoxyethyl 2-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

InChI: InChI=1S/C23H23ClN2O5S/c1-13-18(20(26-31-13)14-7-3-5-9-16(14)24)21(27)25-22-19(23(28)30-12-11-29-2)15-8-4-6-10-17(15)32-22/h3,5,7,9H,4,6,8,10-12H2,1-2H3,(H,25,27)

Composition: C (58.16%), H (4.88%), Cl (7.46%), N (5.90%), O (16.84%), S (6.75%)

Molar Mass: 474.96

Atom Count: 55

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 474.1016207
Formal Charge 0
FSP3 0.35
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey LHKZJLJDIRWSJP-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 124.51
Topological Polar Surface Area 90.66
Polarizability 47.54
Ring Count 4
Rotatable Bond Count 8

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C23H23ClN2O5S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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