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(2E,5Z)-5-({3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}methylidene)-3-methyl-2-(methylimino)-1,3-thiazolidin-4-one

(2E,5Z)-5-({3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}methylidene)-3-methyl-2-(methylimino)-1,3-thiazolidin-4-one

Formula: C21H20BrFN2O3S

SMILES: CCOC1=CC(C=C2/SC(=NC)N(C)C2=O)=CC(Br)=C1OCC1=CC=CC=C1F

IUPAC: (2E,5Z)-5-({3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}methylidene)-3-methyl-2-(methylimino)-1,3-thiazolidin-4-one

InChI: InChI=1S/C21H20BrFN2O3S/c1-4-27-17-10-13(11-18-20(26)25(3)21(24-2)29-18)9-15(22)19(17)28-12-14-7-5-6-8-16(14)23/h5-11H,4,12H2,1-3H3/b18-11-,24-21+

Composition: C (52.62%), H (4.21%), Br (16.67%), F (3.96%), N (5.84%), O (10.01%), S (6.69%)

Molar Mass: 479.36

Atom Count: 49

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 478.036205
Formal Charge 0
FSP3 0.24
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey DFOODNLFFRXDGK-USFSGSQCSA-N
Lipinski's Rule of Five 1
Molar Refractivity 118.2
Topological Polar Surface Area 51.13
Polarizability 44.4
Ring Count 3
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C21H20BrFN2O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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