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N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-[(2-hydroxyethyl)sulfanyl]acetamide

N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-[(2-hydroxyethyl)sulfanyl]acetamide

Formula: C17H16N2O3S

SMILES: OCCSCC(=O)NC1=CC=CC(=C1)C1=NC2=CC=CC=C2O1

IUPAC: N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-[(2-hydroxyethyl)sulfanyl]acetamide

InChI: InChI=1S/C17H16N2O3S/c20-8-9-23-11-16(21)18-13-5-3-4-12(10-13)17-19-14-6-1-2-7-15(14)22-17/h1-7,10,20H,8-9,11H2,(H,18,21)

Composition: C (62.18%), H (4.91%), N (8.53%), O (14.62%), S (9.76%)

Molar Mass: 328.39

Atom Count: 39

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 328.088163557
Formal Charge 0
FSP3 0.18
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey YSYSQWCVWCIGLW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 101.66
Topological Polar Surface Area 75.36
Polarizability 36.35
Ring Count 3
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H16N2O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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