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methyl 3-(5-{[(2E,5E)-2-[(4-methylphenyl)imino]-4-oxo-3-propyl-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoate

methyl 3-(5-{[(2E,5E)-2-[(4-methylphenyl)imino]-4-oxo-3-propyl-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoate

Formula: C26H24N2O4S

SMILES: CCCN1C(=O)C(SC1=NC1=CC=C(C)C=C1)=C/C1=CC=C(O1)C1=CC=CC(=C1)C(=O)OC

IUPAC: methyl 3-(5-{[(2E,5E)-2-[(4-methylphenyl)imino]-4-oxo-3-propyl-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoate

InChI: InChI=1S/C26H24N2O4S/c1-4-14-28-24(29)23(33-26(28)27-20-10-8-17(2)9-11-20)16-21-12-13-22(32-21)18-6-5-7-19(15-18)25(30)31-3/h5-13,15-16H,4,14H2,1-3H3/b23-16+,27-26+

Composition: C (67.81%), H (5.25%), N (6.08%), O (13.90%), S (6.96%)

Molar Mass: 460.55

Atom Count: 57

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 460.145678435
Formal Charge 0
FSP3 0.19
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey XVASJQMBQBZKJZ-NEWZVLFWSA-N
Lipinski's Rule of Five
Molar Refractivity 133.61
Topological Polar Surface Area 72.11
Polarizability 50.86
Ring Count 4
Rotatable Bond Count 7

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C26H24N2O4S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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