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2-(4-{[(2Z,5Z)-4-oxo-3-(2-phenylethyl)-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetamide

2-(4-{[(2Z,5Z)-4-oxo-3-(2-phenylethyl)-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetamide

Formula: C26H23N3O3S

SMILES: NC(=O)COC1=CC=C(C=C2/SC(=N/C3=CC=CC=C3)N(CCC3=CC=CC=C3)C2=O)C=C1

IUPAC: 2-(4-{[(2Z,5Z)-4-oxo-3-(2-phenylethyl)-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetamide

InChI: InChI=1S/C26H23N3O3S/c27-24(30)18-32-22-13-11-20(12-14-22)17-23-25(31)29(16-15-19-7-3-1-4-8-19)26(33-23)28-21-9-5-2-6-10-21/h1-14,17H,15-16,18H2,(H2,27,30)/b23-17-,28-26-

Composition: C (68.25%), H (5.07%), N (9.18%), O (10.49%), S (7.01%)

Molar Mass: 457.55

Atom Count: 56

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 457.146012787
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey OOXPFEFJCHLSJI-BXCHBZDESA-N
Lipinski's Rule of Five 1
Molar Refractivity 133.6
Topological Polar Surface Area 84.99
Polarizability 50.17
Ring Count 4
Rotatable Bond Count 8

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C26H23N3O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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