4-(2-chloro-4-{[(5E)-2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-methoxyphenoxymethyl)benzoic acid

4-(2-chloro-4-{[(5E)-2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-methoxyphenoxymethyl)benzoic acid

Formula: C22H16ClNO6S

SMILES: COC1=CC(C=C2SC(=O)N(CC#C)C2=O)=CC(Cl)=C1OCC1=CC=C(C=C1)C(O)=O

IUPAC: 4-[(2-chloro-4-{[(5E)-2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-methoxyphenoxy)methyl]benzoic acid

InChI: InChI=1S/C22H16ClNO6S/c1-3-8-24-20(25)18(31-22(24)28)11-14-9-16(23)19(17(10-14)29-2)30-12-13-4-6-15(7-5-13)21(26)27/h1,4-7,9-11H,8,12H2,2H3,(H,26,27)/b18-11+

Composition: C (57.71%), H (3.52%), Cl (7.74%), N (3.06%), O (20.96%), S (7.00%)

Molar Mass: 457.88

Atom Count: 47

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	457.0386861
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	OBGCHACQHSQBLN-WOJGMQOQSA-N
Lipinski's Rule of Five	1
Molar Refractivity	118.3
Topological Polar Surface Area	93.14
Polarizability	44.47
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H16ClNO6S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00