3,4,5-triethoxy-N-(2-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)benzamide

3,4,5-triethoxy-N-(2-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)benzamide

Formula: C23H25N5O4S

SMILES: CCOC1=CC(=CC(OCC)=C1OCC)C(=O)NC1=CC=CC=C1C1=NN2C(C)=NN=C2S1

IUPAC: 3,4,5-triethoxy-N-(2-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)benzamide

InChI: InChI=1S/C23H25N5O4S/c1-5-30-18-12-15(13-19(31-6-2)20(18)32-7-3)21(29)24-17-11-9-8-10-16(17)22-27-28-14(4)25-26-23(28)33-22/h8-13H,5-7H2,1-4H3,(H,24,29)

Composition: C (59.09%), H (5.39%), N (14.98%), O (13.69%), S (6.86%)

Molar Mass: 467.54

Atom Count: 58

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	467.162725479
Formal Charge	0
FSP3	0.3
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
InChIKey	KBAYKCRQRJIRLW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	160.54
Topological Polar Surface Area	99.87
Polarizability	48
Ring Count	4
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H25N5O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00