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2-(2-bromo-4-{[(2Z,5Z)-2-[(4-methylphenyl)imino]-4-oxo-3-propyl-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetamide

2-(2-bromo-4-{[(2Z,5Z)-2-[(4-methylphenyl)imino]-4-oxo-3-propyl-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetamide

Formula: C22H22BrN3O3S

SMILES: CCCN1C(=O)C(SC1=N/C1=CC=C(C)C=C1)=CC1=CC=C(OCC(N)=O)C(Br)=C1

IUPAC: 2-(2-bromo-4-{[(2Z,5Z)-2-[(4-methylphenyl)imino]-4-oxo-3-propyl-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetamide

InChI: InChI=1S/C22H22BrN3O3S/c1-3-10-26-21(28)19(30-22(26)25-16-7-4-14(2)5-8-16)12-15-6-9-18(17(23)11-15)29-13-20(24)27/h4-9,11-12H,3,10,13H2,1-2H3,(H2,24,27)/b19-12-,25-22-

Composition: C (54.10%), H (4.54%), Br (16.36%), N (8.60%), O (9.83%), S (6.56%)

Molar Mass: 488.4

Atom Count: 52

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 487.056526
Formal Charge 0
FSP3 0.23
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey CLNLJVXWVSQDDC-TVNBHEQGSA-N
Lipinski's Rule of Five 1
Molar Refractivity 126.17
Topological Polar Surface Area 84.99
Polarizability 46.95
Ring Count 3
Rotatable Bond Count 7

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C22H22BrN3O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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