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

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

Formula: C21H21N5O4S

SMILES: COC1=CC(=CC(OC)=C1OC)C(=O)NCC1=CC=C(C=C1)C1=NN2C(C)=NN=C2S1

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

InChI: InChI=1S/C21H21N5O4S/c1-12-23-24-21-26(12)25-20(31-21)14-7-5-13(6-8-14)11-22-19(27)15-9-16(28-2)18(30-4)17(10-15)29-3/h5-10H,11H2,1-4H3,(H,22,27)

Composition: C (57.39%), H (4.82%), N (15.94%), O (14.56%), S (7.29%)

Molar Mass: 439.49

Atom Count: 52

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	439.13142535
Formal Charge	0
FSP3	0.24
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
InChIKey	HDZBNULNKWPPTP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	149.34
Topological Polar Surface Area	99.87
Polarizability	44.15
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H21N5O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00