N-(4-chloro-2-fluorophenyl)-2-{[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetamide

N-(4-chloro-2-fluorophenyl)-2-{[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Formula: C17H14ClFN4OS

SMILES: CC1=CC=C(C=C1)C1=NC(SCC(=O)NC2=CC=C(Cl)C=C2F)=NN1

IUPAC: N-(4-chloro-2-fluorophenyl)-2-{[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetamide

InChI: InChI=1S/C17H14ClFN4OS/c1-10-2-4-11(5-3-10)16-21-17(23-22-16)25-9-15(24)20-14-7-6-12(18)8-13(14)19/h2-8H,9H2,1H3,(H,20,24)(H,21,22,23)

Composition: C (54.18%), H (3.74%), Cl (9.41%), F (5.04%), N (14.87%), O (4.25%), S (8.51%)

Molar Mass: 376.83

Atom Count: 39

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	376.0560881
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	HFGHSQYFRUWIHW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	111.3
Topological Polar Surface Area	70.67
Polarizability	37.4
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H14ClFN4OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00