methyl 2-(2-{[5-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate

methyl 2-(2-{[5-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate

Formula: C16H20N4O3S

SMILES: COC(=O)C1=CC=CC=C1NC(=O)CSC1=NN=C(CC(C)C)N1

IUPAC: methyl 2-(2-{[5-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate

InChI: InChI=1S/C16H20N4O3S/c1-10(2)8-13-18-16(20-19-13)24-9-14(21)17-12-7-5-4-6-11(12)15(22)23-3/h4-7,10H,8-9H2,1-3H3,(H,17,21)(H,18,19,20)

Composition: C (55.16%), H (5.79%), N (16.08%), O (13.78%), S (9.20%)

Molar Mass: 348.42

Atom Count: 44

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	348.125611694
Formal Charge	0
FSP3	0.37
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	ATVWMUGZQLFLCN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	96.21
Topological Polar Surface Area	96.97
Polarizability	35.56
Ring Count	2
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H20N4O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00