(5Z)-3-(4-chlorophenyl)-5-{[3-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-1,3-thiazolidine-2,4-dione

(5Z)-3-(4-chlorophenyl)-5-{[3-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-1,3-thiazolidine-2,4-dione

Formula: C21H16ClNO4S

SMILES: CCOC1=CC(C=C2/SC(=O)N(C2=O)C2=CC=C(Cl)C=C2)=CC=C1OCC#C

IUPAC: (5Z)-3-(4-chlorophenyl)-5-{[3-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-1,3-thiazolidine-2,4-dione

InChI: InChI=1S/C21H16ClNO4S/c1-3-11-27-17-10-5-14(12-18(17)26-4-2)13-19-20(24)23(21(25)28-19)16-8-6-15(22)7-9-16/h1,5-10,12-13H,4,11H2,2H3/b19-13-

Composition: C (60.94%), H (3.90%), Cl (8.57%), N (3.38%), O (15.46%), S (7.75%)

Molar Mass: 413.87

Atom Count: 44

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	413.0488569
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	YFBIOMGGBIJLKV-UYRXBGFRSA-N
Lipinski's Rule of Five	1
Molar Refractivity	110.96
Topological Polar Surface Area	55.84
Polarizability	42.04
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H16ClNO4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00