1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-bromophenyl)methylidene]-5-[(phenylamino)methyl]-1,2,3-triazole-4-carbohydrazide

1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-bromophenyl)methylidene]-5-[(phenylamino)methyl]-1,2,3-triazole-4-carbohydrazide

Formula: C19H16BrN9O2

SMILES: NC1=NON=C1N1N=NC(C(=O)NN=CC2=CC=C(Br)C=C2)=C1CNC1=CC=CC=C1

IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-bromophenyl)methylidene]-5-[(phenylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide

InChI: InChI=1S/C19H16BrN9O2/c20-13-8-6-12(7-9-13)10-23-25-19(30)16-15(11-22-14-4-2-1-3-5-14)29(28-24-16)18-17(21)26-31-27-18/h1-10,22H,11H2,(H2,21,26)(H,25,30)/b23-10+

Composition: C (47.32%), H (3.34%), Br (16.57%), N (26.14%), O (6.63%)

Molar Mass: 482.302

Atom Count: 47

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	481.061034
Formal Charge	0
FSP3	0.05
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	3
InChIKey	MDAILUJIXSLRFY-AUEPDCJTSA-N
Lipinski's Rule of Five	1
Molar Refractivity	122.59
Topological Polar Surface Area	149.14
Polarizability	42.65
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H16BrN9O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00