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

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

Formula: C18H18I2N2O2S

SMILES: COC1=C(I)C=C(I)C=C1C1NC2=C(C3=C(CC(C)CC3)S2)C(=O)N1

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

InChI: InChI=1/C18H18I2N2O2S/c1-8-3-4-10-13(5-8)25-18-14(10)17(23)21-16(22-18)11-6-9(19)7-12(20)15(11)24-2/h6-8,16,22H,3-5H2,1-2H3,(H,21,23)

Composition: C (37.26%), H (3.13%), I (43.74%), N (4.83%), O (5.51%), S (5.53%)

Molar Mass: 580.22

Atom Count: 43

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	579.91784
Formal Charge	0
FSP3	0.39
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	IKDMXHJNFYBXLQ-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	119.03
Topological Polar Surface Area	50.36
Polarizability	45.04
Ring Count	4
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H18I2N2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00