N-(2,4-dimethoxyphenyl)-2-{[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetamide

N-(2,4-dimethoxyphenyl)-2-{[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Formula: C19H20N4O4S

SMILES: COC1=CC=C(C=C1)C1=NC(SCC(=O)NC2=CC=C(OC)C=C2OC)=NN1

IUPAC: N-(2,4-dimethoxyphenyl)-2-{[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetamide

InChI: InChI=1S/C19H20N4O4S/c1-25-13-6-4-12(5-7-13)18-21-19(23-22-18)28-11-17(24)20-15-9-8-14(26-2)10-16(15)27-3/h4-10H,11H2,1-3H3,(H,20,24)(H,21,22,23)

Composition: C (56.99%), H (5.03%), N (13.99%), O (15.98%), S (8.01%)

Molar Mass: 400.45

Atom Count: 48

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	400.120526314
Formal Charge	0
FSP3	0.21
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	LRDLKEXHYSRJFS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	120.63
Topological Polar Surface Area	98.36
Polarizability	41.64
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H20N4O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00