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2-[(5E)-5-({2-[(2-cyanophenyl)methoxy]phenyl}methylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2,6-dimethylphenyl)acetamide

2-[(5E)-5-({2-[(2-cyanophenyl)methoxy]phenyl}methylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2,6-dimethylphenyl)acetamide

Formula: C28H23N3O4S

SMILES: CC1=CC=CC(C)=C1NC(=O)CN1C(=O)SC(=CC2=CC=CC=C2OCC2=CC=CC=C2C#N)C1=O

IUPAC: 2-[(5E)-5-({2-[(2-cyanophenyl)methoxy]phenyl}methylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2,6-dimethylphenyl)acetamide

InChI: InChI=1S/C28H23N3O4S/c1-18-8-7-9-19(2)26(18)30-25(32)16-31-27(33)24(36-28(31)34)14-20-10-5-6-13-23(20)35-17-22-12-4-3-11-21(22)15-29/h3-14H,16-17H2,1-2H3,(H,30,32)/b24-14+

Composition: C (67.59%), H (4.66%), N (8.45%), O (12.86%), S (6.44%)

Molar Mass: 497.57

Atom Count: 59

Heavy Atom Count: 36

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 497.140927407
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey DYOMCPZATCSXNW-ZVHZXABRSA-N
Lipinski's Rule of Five
Molar Refractivity 142.36
Topological Polar Surface Area 99.5
Polarizability 53.06
Ring Count 4
Rotatable Bond Count 7

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C28H23N3O4S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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