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N-[2-({[(4-acetylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-phenoxyacetamide

N-[2-({[(4-acetylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-phenoxyacetamide

Formula: C25H21N3O4S2

SMILES: CC(=O)C1=CC=C(NC(=O)CSC2=NC3=CC=C(NC(=O)COC4=CC=CC=C4)C=C3S2)C=C1

IUPAC: N-[2-({[(4-acetylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-phenoxyacetamide

InChI: InChI=1S/C25H21N3O4S2/c1-16(29)17-7-9-18(10-8-17)26-24(31)15-33-25-28-21-12-11-19(13-22(21)34-25)27-23(30)14-32-20-5-3-2-4-6-20/h2-13H,14-15H2,1H3,(H,26,31)(H,27,30)

Composition: C (61.08%), H (4.31%), N (8.55%), O (13.02%), S (13.04%)

Molar Mass: 491.58

Atom Count: 55

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 491.097348516
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey LFGPMLGREBFEFL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 135.1
Topological Polar Surface Area 97.39
Polarizability 52.06
Ring Count 4
Rotatable Bond Count 9

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C25H21N3O4S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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