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N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-2-methoxy-3-methylbenzamide

N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-2-methoxy-3-methylbenzamide

Formula: C22H17ClN2O2S

SMILES: COC1=C(C)C=CC=C1C(=O)NC1=CC=C(Cl)C=C1C1=NC2=CC=CC=C2S1

IUPAC: N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-2-methoxy-3-methylbenzamide

InChI: InChI=1S/C22H17ClN2O2S/c1-13-6-5-7-15(20(13)27-2)21(26)24-17-11-10-14(23)12-16(17)22-25-18-8-3-4-9-19(18)28-22/h3-12H,1-2H3,(H,24,26)

Composition: C (64.62%), H (4.19%), Cl (8.67%), N (6.85%), O (7.83%), S (7.84%)

Molar Mass: 408.9

Atom Count: 45

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 408.0699267
Formal Charge 0
FSP3 0.09
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey GWQZRWZMYOPYMN-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 124.07
Topological Polar Surface Area 51.22
Polarizability 44.66
Ring Count 4
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C22H17ClN2O2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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