ethyl 5-[5-(3-nitrophenyl)furan-2-yl]-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-diene-11-carboxylate

ethyl 5-[5-(3-nitrophenyl)furan-2-yl]-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-diene-11-carboxylate

Formula: C22H20N4O6S

SMILES: CCOC(=O)N1CCC2=C(C1)SC1=C2C(=O)NC(N1)C1=CC=C(O1)C1=CC=CC(=C1)[N+]([O-])=O

IUPAC: ethyl 5-[5-(3-nitrophenyl)furan-2-yl]-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-diene-11-carboxylate

InChI: InChI=1/C22H20N4O6S/c1-2-31-22(28)25-9-8-14-17(11-25)33-21-18(14)20(27)23-19(24-21)16-7-6-15(32-16)12-4-3-5-13(10-12)26(29)30/h3-7,10,19,24H,2,8-9,11H2,1H3,(H,23,27)

Composition: C (56.40%), H (4.30%), N (11.96%), O (20.49%), S (6.84%)

Molar Mass: 468.48

Atom Count: 53

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	468.110355554
Formal Charge	0
FSP3	0.27
Hetero Ring Count	4
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	HMSOSYFPHFRSAZ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	119.88
Topological Polar Surface Area	126.95
Polarizability	45.67
Ring Count	5
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H20N4O6S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00