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2-[(5Z)-5-{[4-(difluoromethoxy)-3-methoxyphenyl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

2-[(5Z)-5-{[4-(difluoromethoxy)-3-methoxyphenyl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

Formula: C22H18F2N2O7S

SMILES: COC1=CC(C=C2/SC(=O)N(CC(=O)NC3=CC=C4OCCOC4=C3)C2=O)=CC=C1OC(F)F

IUPAC: 2-[(5Z)-5-{[4-(difluoromethoxy)-3-methoxyphenyl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

InChI: InChI=1S/C22H18F2N2O7S/c1-30-16-8-12(2-4-15(16)33-21(23)24)9-18-20(28)26(22(29)34-18)11-19(27)25-13-3-5-14-17(10-13)32-7-6-31-14/h2-5,8-10,21H,6-7,11H2,1H3,(H,25,27)/b18-9-

Composition: C (53.66%), H (3.68%), F (7.72%), N (5.69%), O (22.74%), S (6.51%)

Molar Mass: 492.45

Atom Count: 52

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 492.080278428
Formal Charge 0
FSP3 0.23
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 1
InChIKey MSYOQOYWIWLYQG-NVMNQCDNSA-N
Lipinski's Rule of Five 1
Molar Refractivity 119.37
Topological Polar Surface Area 103.4
Polarizability 44.62
Ring Count 4
Rotatable Bond Count 7

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C22H18F2N2O7S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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