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(2Z,5E)-5-({4-bromo-5-[(4-chlorophenyl)sulfanyl]furan-2-yl}methylidene)-2-[(4-ethoxyphenyl)imino]-1,3-thiazolidin-4-one

(2Z,5E)-5-({4-bromo-5-[(4-chlorophenyl)sulfanyl]furan-2-yl}methylidene)-2-[(4-ethoxyphenyl)imino]-1,3-thiazolidin-4-one

Formula: C22H16BrClN2O3S2

SMILES: CCOC1=CC=C(C=C1)N=C1NC(=O)C(S1)=C/C1=CC(Br)=C(O1)SC1=CC=C(Cl)C=C1

IUPAC: (2Z,5E)-5-({4-bromo-5-[(4-chlorophenyl)sulfanyl]furan-2-yl}methylidene)-2-[(4-ethoxyphenyl)imino]-1,3-thiazolidin-4-one

InChI: InChI=1S/C22H16BrClN2O3S2/c1-2-28-15-7-5-14(6-8-15)25-22-26-20(27)19(31-22)12-16-11-18(23)21(29-16)30-17-9-3-13(24)4-10-17/h3-12H,2H2,1H3,(H,25,26,27)/b19-12+

Composition: C (49.31%), H (3.01%), Br (14.91%), Cl (6.62%), N (5.23%), O (8.96%), S (11.97%)

Molar Mass: 535.86

Atom Count: 47

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 533.947425
Formal Charge 0
FSP3 0.09
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey XYAXCKPUDYSBCF-XDHOZWIPSA-N
Lipinski's Rule of Five
Molar Refractivity 132.93
Topological Polar Surface Area 63.83
Polarizability 49.88
Ring Count 4
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C22H16BrClN2O3S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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