N-(4-bromo-3-chlorophenyl)-2-{[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetamide

N-(4-bromo-3-chlorophenyl)-2-{[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Formula: C17H14BrClN4O2S

SMILES: COC1=CC=C(C=C1)C1=NC(SCC(=O)NC2=CC=C(Br)C(Cl)=C2)=NN1

IUPAC: N-(4-bromo-3-chlorophenyl)-2-{[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetamide

InChI: InChI=1S/C17H14BrClN4O2S/c1-25-12-5-2-10(3-6-12)16-21-17(23-22-16)26-9-15(24)20-11-4-7-13(18)14(19)8-11/h2-8H,9H2,1H3,(H,20,24)(H,21,22,23)

Composition: C (45.00%), H (3.11%), Br (17.61%), Cl (7.81%), N (12.35%), O (7.05%), S (7.07%)

Molar Mass: 453.74

Atom Count: 40

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	451.970938
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	PVOZKKHBWOIJQN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	120.13
Topological Polar Surface Area	79.9
Polarizability	41.31
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H14BrClN4O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00