4-{3-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-2-(thiophen-2-yl)quinoline

4-{3-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-2-(thiophen-2-yl)quinoline

Formula: C25H19N5O2S2

SMILES: COC1=CC=C(CC2=NN=C3SC(=NN23)C2=CC(=NC3=CC=CC=C23)C2=CC=CS2)C=C1OC

IUPAC: 4-{3-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-2-(thiophen-2-yl)quinoline

InChI: InChI=1S/C25H19N5O2S2/c1-31-20-10-9-15(12-21(20)32-2)13-23-27-28-25-30(23)29-24(34-25)17-14-19(22-8-5-11-33-22)26-18-7-4-3-6-16(17)18/h3-12,14H,13H2,1-2H3

Composition: C (61.84%), H (3.94%), N (14.42%), O (6.59%), S (13.20%)

Molar Mass: 485.58

Atom Count: 53

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	6
Asymmetric Atom Count	0
Exact Mass	485.09801722
Formal Charge	0
FSP3	0.12
Hetero Ring Count	4
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	ZCTNHCORZSPJIX-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	164.59
Topological Polar Surface Area	74.43
Polarizability	53.13
Ring Count	6
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H19N5O2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00