3-{2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid

3-{2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid

Formula: C17H14N4O3S

SMILES: OC(=O)C1=CC(NC(=O)CSC2=NNC(=N2)C2=CC=CC=C2)=CC=C1

IUPAC: 3-{2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid

InChI: InChI=1S/C17H14N4O3S/c22-14(18-13-8-4-7-12(9-13)16(23)24)10-25-17-19-15(20-21-17)11-5-2-1-3-6-11/h1-9H,10H2,(H,18,22)(H,23,24)(H,19,20,21)

Composition: C (57.62%), H (3.98%), N (15.81%), O (13.54%), S (9.05%)

Molar Mass: 354.38

Atom Count: 39

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	354.078661501
Formal Charge	0
FSP3	0.06
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	JQRRKTCKHJHBQK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	108.49
Topological Polar Surface Area	107.97
Polarizability	36.41
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H14N4O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00