ethyl 2-(2-{1H,2H,3H-cyclopenta[b]quinoline-9-carbonyloxy}acetamido)-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-(2-{1H,2H,3H-cyclopenta[b]quinoline-9-carbonyloxy}acetamido)-4-methyl-1,3-thiazole-5-carboxylate

Formula: C22H21N3O5S

SMILES: CCOC(=O)C1=C(C)N=C(NC(=O)COC(=O)C2=C3CCCC3=NC3=CC=CC=C23)S1

IUPAC: ethyl 2-(2-{1H,2H,3H-cyclopenta[b]quinoline-9-carbonyloxy}acetamido)-4-methyl-1,3-thiazole-5-carboxylate

InChI: InChI=1S/C22H21N3O5S/c1-3-29-21(28)19-12(2)23-22(31-19)25-17(26)11-30-20(27)18-13-7-4-5-9-15(13)24-16-10-6-8-14(16)18/h4-5,7,9H,3,6,8,10-11H2,1-2H3,(H,23,25,26)

Composition: C (60.13%), H (4.82%), N (9.56%), O (18.20%), S (7.29%)

Molar Mass: 439.49

Atom Count: 52

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	439.120191962
Formal Charge	0
FSP3	0.32
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	ZVKJSXNCLKXNEZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	114.66
Topological Polar Surface Area	107.48
Polarizability	44.52
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H21N3O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00