3-(4-tert-butylphenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-(4-tert-butylphenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Formula: C21H20N4O2S

SMILES: CC(C)(C)C1=CC=C(C=C1)C1=NN=C2SC(=NN12)C1=CC=C2OCCOC2=C1

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

InChI: InChI=1S/C21H20N4O2S/c1-21(2,3)15-7-4-13(5-8-15)18-22-23-20-25(18)24-19(28-20)14-6-9-16-17(12-14)27-11-10-26-16/h4-9,12H,10-11H2,1-3H3

Composition: C (64.27%), H (5.14%), N (14.28%), O (8.15%), S (8.17%)

Molar Mass: 392.48

Atom Count: 48

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	392.130697074
Formal Charge	0
FSP3	0.29
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	ZFEDVUFWYIOHBD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	151.65
Topological Polar Surface Area	61.54
Polarizability	42.37
Ring Count	5
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H20N4O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00