methyl 4-[(E)-[2-(1,1-dioxo-1??,2-benzothiazol-3-yl)-2-(2-hydroxyethyl)hydrazin-1-ylidene]methyl]-3-hydroxynaphthalene-2-carboxylate

methyl 4-[(E)-[2-(1,1-dioxo-1??,2-benzothiazol-3-yl)-2-(2-hydroxyethyl)hydrazin-1-ylidene]methyl]-3-hydroxynaphthalene-2-carboxylate

Formula: C22H19N3O6S

SMILES: COC(=O)C1=CC2=CC=CC=C2C(C=NN(CCO)C2=NS(=O)(=O)C3=C2C=CC=C3)=C1O

IUPAC: methyl 4-[(E)-[2-(1,1-dioxo-1??,2-benzothiazol-3-yl)-2-(2-hydroxyethyl)hydrazin-1-ylidene]methyl]-3-hydroxynaphthalene-2-carboxylate

InChI: InChI=1S/C22H19N3O6S/c1-31-22(28)17-12-14-6-2-3-7-15(14)18(20(17)27)13-23-25(10-11-26)21-16-8-4-5-9-19(16)32(29,30)24-21/h2-9,12-13,26-27H,10-11H2,1H3/b23-13+

Composition: C (58.27%), H (4.22%), N (9.27%), O (21.17%), S (7.07%)

Molar Mass: 453.47

Atom Count: 51

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	453.099456518
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
InChIKey	UWDWGDYDDQDJNE-YDZHTSKRSA-N
Lipinski's Rule of Five	1
Molar Refractivity	119
Topological Polar Surface Area	128.86
Polarizability	46.43
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H19N3O6S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00