N-[5-(2-{[(4-chlorophenyl)methyl]sulfanyl}phenyl)-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide

N-[5-(2-{[(4-chlorophenyl)methyl]sulfanyl}phenyl)-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide

Formula: C22H15ClFN3OS2

SMILES: FC1=CC=C(C=C1)C(=O)NC1=NN=C(S1)C1=CC=CC=C1SCC1=CC=C(Cl)C=C1

IUPAC: N-[5-(2-{[(4-chlorophenyl)methyl]sulfanyl}phenyl)-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide

InChI: InChI=1S/C22H15ClFN3OS2/c23-16-9-5-14(6-10-16)13-29-19-4-2-1-3-18(19)21-26-27-22(30-21)25-20(28)15-7-11-17(24)12-8-15/h1-12H,13H2,(H,25,27,28)

Composition: C (57.95%), H (3.32%), Cl (7.77%), F (4.17%), N (9.22%), O (3.51%), S (14.06%)

Molar Mass: 455.95

Atom Count: 45

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	455.0329103
Formal Charge	0
FSP3	0.05
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	NRYAKOAEGPETDX-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	133.94
Topological Polar Surface Area	54.88
Polarizability	46.16
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H15ClFN3OS2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00