3-(3,4-dimethoxyphenyl)-6-(naphthalen-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-(3,4-dimethoxyphenyl)-6-(naphthalen-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Formula: C22H18N4O2S

SMILES: COC1=CC=C(C=C1OC)C1=NN=C2SC(CC3=CC=CC4=CC=CC=C34)=NN12

IUPAC: 3-(3,4-dimethoxyphenyl)-6-[(naphthalen-1-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

InChI: InChI=1S/C22H18N4O2S/c1-27-18-11-10-16(12-19(18)28-2)21-23-24-22-26(21)25-20(29-22)13-15-8-5-7-14-6-3-4-9-17(14)15/h3-12H,13H2,1-2H3

Composition: C (65.65%), H (4.51%), N (13.92%), O (7.95%), S (7.97%)

Molar Mass: 402.47

Atom Count: 47

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	5
Asymmetric Atom Count	0
Exact Mass	402.11504701
Formal Charge	0
FSP3	0.14
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	QZRZINLXFPNEDS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	145.47
Topological Polar Surface Area	61.54
Polarizability	44.39
Ring Count	5
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H18N4O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00