N'-[(E)-{5-bromo-2-[2-(4-methylphenoxy)ethoxy]phenyl}methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetohydrazide

N'-[(E)-{5-bromo-2-[2-(4-methylphenoxy)ethoxy]phenyl}methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetohydrazide

Formula: C21H21BrN4O3S2

SMILES: CC1=NN=C(SCC(=O)NN=CC2=CC(Br)=CC=C2OCCOC2=CC=C(C)C=C2)S1

IUPAC: N'-[(E)-{5-bromo-2-[2-(4-methylphenoxy)ethoxy]phenyl}methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetohydrazide

InChI: InChI=1S/C21H21BrN4O3S2/c1-14-3-6-18(7-4-14)28-9-10-29-19-8-5-17(22)11-16(19)12-23-25-20(27)13-30-21-26-24-15(2)31-21/h3-8,11-12H,9-10,13H2,1-2H3,(H,25,27)/b23-12+

Composition: C (48.37%), H (4.06%), Br (15.32%), N (10.74%), O (9.20%), S (12.30%)

Molar Mass: 521.45

Atom Count: 52

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	520.023846
Formal Charge	0
FSP3	0.24
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	DARXSWVMEWDOCX-FSJBWODESA-N
Lipinski's Rule of Five
Molar Refractivity	128.89
Topological Polar Surface Area	85.7
Polarizability	48.38
Ring Count	3
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H21BrN4O3S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00