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N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-{[(2,4-dichlorophenyl)methyl]sulfanyl}acetamide

N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-{[(2,4-dichlorophenyl)methyl]sulfanyl}acetamide

Formula: C22H16Cl2N2OS2

SMILES: ClC1=CC=C(CSCC(=O)NC2=CC=CC(=C2)C2=NC3=CC=CC=C3S2)C(Cl)=C1

IUPAC: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-{[(2,4-dichlorophenyl)methyl]sulfanyl}acetamide

InChI: InChI=1S/C22H16Cl2N2OS2/c23-16-9-8-15(18(24)11-16)12-28-13-21(27)25-17-5-3-4-14(10-17)22-26-19-6-1-2-7-20(19)29-22/h1-11H,12-13H2,(H,25,27)

Composition: C (57.52%), H (3.51%), Cl (15.43%), N (6.10%), O (3.48%), S (13.96%)

Molar Mass: 459.4

Atom Count: 45

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 458.0081109
Formal Charge 0
FSP3 0.09
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey ZGTYRNLOJKNEIG-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 133.84
Topological Polar Surface Area 41.99
Polarizability 49.01
Ring Count 4
Rotatable Bond Count 6

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C22H16Cl2N2OS2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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