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methyl 2-[(5E)-5-[(3-methoxy-2-{[(4-methylphenyl)carbamoyl]methoxy}phenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate

methyl 2-[(5E)-5-[(3-methoxy-2-{[(4-methylphenyl)carbamoyl]methoxy}phenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate

Formula: C23H22N2O7S

SMILES: COC(=O)CN1C(=O)SC(=CC2=CC=CC(OC)=C2OCC(=O)NC2=CC=C(C)C=C2)C1=O

IUPAC: methyl 2-[(5E)-5-[(3-methoxy-2-{[(4-methylphenyl)carbamoyl]methoxy}phenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate

InChI: InChI=1S/C23H22N2O7S/c1-14-7-9-16(10-8-14)24-19(26)13-32-21-15(5-4-6-17(21)30-2)11-18-22(28)25(23(29)33-18)12-20(27)31-3/h4-11H,12-13H2,1-3H3,(H,24,26)/b18-11+

Composition: C (58.72%), H (4.71%), N (5.95%), O (23.80%), S (6.81%)

Molar Mass: 470.5

Atom Count: 55

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 470.11477223
Formal Charge 0
FSP3 0.22
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey GXHSTTAABPHHDT-WOJGMQOQSA-N
Lipinski's Rule of Five 1
Molar Refractivity 124.3
Topological Polar Surface Area 111.24
Polarizability 46.92
Ring Count 3
Rotatable Bond Count 9

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C23H22N2O7S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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