2-(4-{[(5E)-2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenoxy)-N-(4-fluorophenyl)acetamide

2-(4-{[(5E)-2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenoxy)-N-(4-fluorophenyl)acetamide

Formula: C22H17FN2O5S

SMILES: COC1=CC(C=C2SC(=O)N(CC#C)C2=O)=CC=C1OCC(=O)NC1=CC=C(F)C=C1

IUPAC: 2-(4-{[(5E)-2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenoxy)-N-(4-fluorophenyl)acetamide

InChI: InChI=1S/C22H17FN2O5S/c1-3-10-25-21(27)19(31-22(25)28)12-14-4-9-17(18(11-14)29-2)30-13-20(26)24-16-7-5-15(23)6-8-16/h1,4-9,11-12H,10,13H2,2H3,(H,24,26)/b19-12+

Composition: C (59.99%), H (3.89%), F (4.31%), N (6.36%), O (18.16%), S (7.28%)

Molar Mass: 440.45

Atom Count: 48

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	440.084220992
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	JSCIEAHPUXZGSX-XDHOZWIPSA-N
Lipinski's Rule of Five	1
Molar Refractivity	116.2
Topological Polar Surface Area	84.94
Polarizability	42.95
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H17FN2O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00