5-(3,5-diiodo-2-methoxyphenyl)-11-(2-methylbutan-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

5-(3,5-diiodo-2-methoxyphenyl)-11-(2-methylbutan-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

Formula: C22H26I2N2O2S

SMILES: CCC(C)(C)C1CCC2=C(C1)SC1=C2C(=O)NC(N1)C1=CC(I)=CC(I)=C1OC

IUPAC: 5-(3,5-diiodo-2-methoxyphenyl)-11-(2-methylbutan-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

InChI: InChI=1/C22H26I2N2O2S/c1-5-22(2,3)11-6-7-13-16(8-11)29-21-17(13)20(27)25-19(26-21)14-9-12(23)10-15(24)18(14)28-4/h9-11,19,26H,5-8H2,1-4H3,(H,25,27)

Composition: C (41.53%), H (4.12%), I (39.89%), N (4.40%), O (5.03%), S (5.04%)

Molar Mass: 636.33

Atom Count: 55

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	635.98044
Formal Charge	0
FSP3	0.5
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	QHUOEHBRCDGQDP-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	137.26
Topological Polar Surface Area	50.36
Polarizability	52.25
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H26I2N2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00