N-{5-[(1E)-1-cyano-2-[5-(2-nitrophenyl)furan-2-yl]eth-1-en-1-yl]-1,3,4-thiadiazol-2-yl}benzamide

N-{5-[(1E)-1-cyano-2-[5-(2-nitrophenyl)furan-2-yl]eth-1-en-1-yl]-1,3,4-thiadiazol-2-yl}benzamide

Formula: C22H13N5O4S

SMILES: [O-][N+](=O)C1=CC=CC=C1C1=CC=C(O1)C=C(/C#N)C1=NN=C(NC(=O)C2=CC=CC=C2)S1

IUPAC: N-{5-[(1E)-1-cyano-2-[5-(2-nitrophenyl)furan-2-yl]eth-1-en-1-yl]-1,3,4-thiadiazol-2-yl}benzamide

InChI: InChI=1S/C22H13N5O4S/c23-13-15(21-25-26-22(32-21)24-20(28)14-6-2-1-3-7-14)12-16-10-11-19(31-16)17-8-4-5-9-18(17)27(29)30/h1-12H,(H,24,26,28)/b15-12+

Composition: C (59.59%), H (2.96%), N (15.79%), O (14.43%), S (7.23%)

Molar Mass: 443.44

Atom Count: 45

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	443.068825093
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	UNRQDHSOTXLKLB-NTCAYCPXSA-N
Lipinski's Rule of Five	1
Molar Refractivity	120.03
Topological Polar Surface Area	134.95
Polarizability	44.3
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H13N5O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00