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2-[(5Z)-5-{[3-chloro-5-methoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide

2-[(5Z)-5-{[3-chloro-5-methoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide

Formula: C23H19ClN2O5S

SMILES: COC1=CC(C=C2/SC(=O)N(CC(=O)NC3=CC=C(C)C=C3)C2=O)=CC(Cl)=C1OCC#C

IUPAC: 2-[(5Z)-5-{[3-chloro-5-methoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide

InChI: InChI=1S/C23H19ClN2O5S/c1-4-9-31-21-17(24)10-15(11-18(21)30-3)12-19-22(28)26(23(29)32-19)13-20(27)25-16-7-5-14(2)6-8-16/h1,5-8,10-12H,9,13H2,2-3H3,(H,25,27)/b19-12-

Composition: C (58.66%), H (4.07%), Cl (7.53%), N (5.95%), O (16.99%), S (6.81%)

Molar Mass: 470.92

Atom Count: 51

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 470.0703206
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey RKNVJDLIKKGVHD-UNOMPAQXSA-N
Lipinski's Rule of Five 1
Molar Refractivity 125.83
Topological Polar Surface Area 84.94
Polarizability 46.92
Ring Count 3
Rotatable Bond Count 7

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C23H19ClN2O5S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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