N-(2-bromo-4,6-difluorophenyl)-2-({5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide

N-(2-bromo-4,6-difluorophenyl)-2-({5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide

Formula: C21H14BrF2N3OS3

SMILES: FC1=CC(F)=C(NC(=O)CSC2=NN=C(SCC3=CC=CC4=CC=CC=C34)S2)C(Br)=C1

IUPAC: N-(2-bromo-4,6-difluorophenyl)-2-[(5-{[(naphthalen-1-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

InChI: InChI=1S/C21H14BrF2N3OS3/c22-16-8-14(23)9-17(24)19(16)25-18(28)11-30-21-27-26-20(31-21)29-10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9H,10-11H2,(H,25,28)

Composition: C (46.84%), H (2.62%), Br (14.84%), F (7.06%), N (7.80%), O (2.97%), S (17.86%)

Molar Mass: 538.44

Atom Count: 45

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	536.945045
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	SKCHDNRAIUGBIL-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	129.53
Topological Polar Surface Area	54.88
Polarizability	48.98
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H14BrF2N3OS3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00