6-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(4-fluorophenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(4-fluorophenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Formula: C19H15FN4O3S

SMILES: FC1=CC=C(OCC2=NN=C3SC(CC4=CC=C5OCCOC5=C4)=NN23)C=C1

IUPAC: 6-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-[(4-fluorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

InChI: InChI=1S/C19H15FN4O3S/c20-13-2-4-14(5-3-13)27-11-17-21-22-19-24(17)23-18(28-19)10-12-1-6-15-16(9-12)26-8-7-25-15/h1-6,9H,7-8,10-11H2

Composition: C (57.28%), H (3.80%), F (4.77%), N (14.06%), O (12.05%), S (8.05%)

Molar Mass: 398.41

Atom Count: 43

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	398.084889696
Formal Charge	0
FSP3	0.21
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	LNAAQGFVOUGFSA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	122.56
Topological Polar Surface Area	70.77
Polarizability	37.79
Ring Count	5
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H15FN4O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00