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

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

Formula: C20H18N4O3S

SMILES: COC1=CC=C(CC2=NN=C3SC(CC4=CC=C5OCCOC5=C4)=NN23)C=C1

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

InChI: InChI=1S/C20H18N4O3S/c1-25-15-5-2-13(3-6-15)11-18-21-22-20-24(18)23-19(28-20)12-14-4-7-16-17(10-14)27-9-8-26-16/h2-7,10H,8-9,11-12H2,1H3

Composition: C (60.90%), H (4.60%), N (14.20%), O (12.17%), S (8.13%)

Molar Mass: 394.45

Atom Count: 46

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	394.10996163
Formal Charge	0
FSP3	0.25
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	IBSRDRKZBAPHGR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	127.57
Topological Polar Surface Area	70.77
Polarizability	39.8
Ring Count	5
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H18N4O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00