N'-[(E)-{3-bromo-4-[(2-cyanophenyl)methoxy]-5-methoxyphenyl}methylidene]thiophene-2-carbohydrazide

N'-[(E)-{3-bromo-4-[(2-cyanophenyl)methoxy]-5-methoxyphenyl}methylidene]thiophene-2-carbohydrazide

Formula: C21H16BrN3O3S

SMILES: COC1=CC(C=NNC(=O)C2=CC=CS2)=CC(Br)=C1OCC1=CC=CC=C1C#N

IUPAC: N'-[(E)-{3-bromo-4-[(2-cyanophenyl)methoxy]-5-methoxyphenyl}methylidene]thiophene-2-carbohydrazide

InChI: InChI=1S/C21H16BrN3O3S/c1-27-18-10-14(12-24-25-21(26)19-7-4-8-29-19)9-17(22)20(18)28-13-16-6-3-2-5-15(16)11-23/h2-10,12H,13H2,1H3,(H,25,26)/b24-12+

Composition: C (53.63%), H (3.43%), Br (16.99%), N (8.93%), O (10.20%), S (6.82%)

Molar Mass: 470.34

Atom Count: 45

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	469.009576
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	RSSJTIJZONXJGE-WYMPLXKRSA-N
Lipinski's Rule of Five	1
Molar Refractivity	116.01
Topological Polar Surface Area	83.71
Polarizability	43.28
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H16BrN3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00