N'-[(E)-{2-bromo-5-ethoxy-4-[(3-nitrophenyl)methoxy]phenyl}methylidene]thiophene-2-carbohydrazide

N'-[(E)-{2-bromo-5-ethoxy-4-[(3-nitrophenyl)methoxy]phenyl}methylidene]thiophene-2-carbohydrazide

Formula: C21H18BrN3O5S

SMILES: CCOC1=CC(C=NNC(=O)C2=CC=CS2)=C(Br)C=C1OCC1=CC=CC(=C1)[N+]([O-])=O

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

InChI: InChI=1S/C21H18BrN3O5S/c1-2-29-18-10-15(12-23-24-21(26)20-7-4-8-31-20)17(22)11-19(18)30-13-14-5-3-6-16(9-14)25(27)28/h3-12H,2,13H2,1H3,(H,24,26)/b23-12+

Composition: C (50.01%), H (3.60%), Br (15.84%), N (8.33%), O (15.86%), S (6.36%)

Molar Mass: 504.36

Atom Count: 49

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	503.015055
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	VYRNCJPZRNTVQL-FSJBWODESA-N
Lipinski's Rule of Five
Molar Refractivity	121.36
Topological Polar Surface Area	103.06
Polarizability	45.25
Ring Count	3
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H18BrN3O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00