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N-[(2E,5Z)-5-({3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide

N-[(2E,5Z)-5-({3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide

Formula: C20H14F3N3O6S

SMILES: COC1=CC(C=C2/SC(NC2=O)=NC(C)=O)=CC=C1OC1=CC=C(C=C1[N+]([O-])=O)C(F)(F)F

IUPAC: N-[(2E,5Z)-5-({3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide

InChI: InChI=1S/C20H14F3N3O6S/c1-10(27)24-19-25-18(28)17(33-19)8-11-3-5-15(16(7-11)31-2)32-14-6-4-12(20(21,22)23)9-13(14)26(29)30/h3-9H,1-2H3,(H,24,25,27,28)/b17-8-

Composition: C (49.90%), H (2.93%), F (11.84%), N (8.73%), O (19.94%), S (6.66%)

Molar Mass: 481.4

Atom Count: 47

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 481.055540846
Formal Charge 0
FSP3 0.15
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey WPQFEMMCHIHOHW-IUXPMGMMSA-N
Lipinski's Rule of Five 1
Molar Refractivity 112.64
Topological Polar Surface Area 120.13
Polarizability 41.56
Ring Count 3
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C20H14F3N3O6S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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