N-[(1E)-1-{N'-[(1E)-1-(3-bromophenyl)ethylidene]hydrazinecarbonyl}-2-(thiophen-2-yl)eth-1-en-1-yl]benzamide

N-[(1E)-1-{N'-[(1E)-1-(3-bromophenyl)ethylidene]hydrazinecarbonyl}-2-(thiophen-2-yl)eth-1-en-1-yl]benzamide

Formula: C22H18BrN3O2S

SMILES: CC(=N/NC(=O)C(NC(=O)C1=CC=CC=C1)=C/C1=CC=CS1)C1=CC(Br)=CC=C1

IUPAC: N-[(1E)-1-{N'-[(1E)-1-(3-bromophenyl)ethylidene]hydrazinecarbonyl}-2-(thiophen-2-yl)eth-1-en-1-yl]benzamide

InChI: InChI=1S/C22H18BrN3O2S/c1-15(17-9-5-10-18(23)13-17)25-26-22(28)20(14-19-11-6-12-29-19)24-21(27)16-7-3-2-4-8-16/h2-14H,1H3,(H,24,27)(H,26,28)/b20-14+,25-15+

Composition: C (56.42%), H (3.87%), Br (17.06%), N (8.97%), O (6.83%), S (6.85%)

Molar Mass: 468.37

Atom Count: 47

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	467.030311
Formal Charge	0
FSP3	0.05
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	HQKVYIQWQJXVOW-PZMJATQJSA-N
Lipinski's Rule of Five	1
Molar Refractivity	120.05
Topological Polar Surface Area	70.56
Polarizability	44.64
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H18BrN3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00