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

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

Formula: C19H20N4O2S

SMILES: COC1=CC=C(CC2=NN=C(N2)SCC(=O)NCC2=CC=CC=C2)C=C1

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

InChI: InChI=1S/C19H20N4O2S/c1-25-16-9-7-14(8-10-16)11-17-21-19(23-22-17)26-13-18(24)20-12-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,20,24)(H,21,22,23)

Composition: C (61.94%), H (5.47%), N (15.21%), O (8.68%), S (8.70%)

Molar Mass: 368.46

Atom Count: 46

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	368.130697074
Formal Charge	0
FSP3	0.21
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	OVOLDNFHABGRMD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	104.65
Topological Polar Surface Area	79.9
Polarizability	39.53
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H20N4O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00