ethyl 4-(2-{[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl}acetamido)benzoate

ethyl 4-(2-{[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl}acetamido)benzoate

Formula: C22H18N4O5S

SMILES: CCOC(=O)C1=CC=C(NC(=O)CSC2=NN=C(C3=CC=CO3)C(=N2)C2=CC=CO2)C=C1

IUPAC: ethyl 4-(2-{[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl}acetamido)benzoate

InChI: InChI=1S/C22H18N4O5S/c1-2-29-21(28)14-7-9-15(10-8-14)23-18(27)13-32-22-24-19(16-5-3-11-30-16)20(25-26-22)17-6-4-12-31-17/h3-12H,2,13H2,1H3,(H,23,27)

Composition: C (58.66%), H (4.03%), N (12.44%), O (17.76%), S (7.12%)

Molar Mass: 450.47

Atom Count: 50

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	450.09979087
Formal Charge	0
FSP3	0.14
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	JSOJPJSUSREEFC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	120.88
Topological Polar Surface Area	120.35
Polarizability	47.15
Ring Count	4
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H18N4O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00