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N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide

N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide

Formula: C22H18N2O2S

SMILES: CC1=CC=CC=C1OCC(=O)NC1=CC=C(C=C1)C1=NC2=CC=CC=C2S1

IUPAC: N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide

InChI: InChI=1S/C22H18N2O2S/c1-15-6-2-4-8-19(15)26-14-21(25)23-17-12-10-16(11-13-17)22-24-18-7-3-5-9-20(18)27-22/h2-13H,14H2,1H3,(H,23,25)

Composition: C (70.57%), H (4.85%), N (7.48%), O (8.55%), S (8.56%)

Molar Mass: 374.46

Atom Count: 45

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 374.108899002
Formal Charge 0
FSP3 0.09
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey LXHQVENAYDKNBA-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 118.1
Topological Polar Surface Area 51.22
Polarizability 42.84
Ring Count 4
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C22H18N2O2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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