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

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

Formula: C18H19IN2O3S

SMILES: COC1=CC(=CC(I)=C1O)C1NC2=C(C3=C(CC(C)CC3)S2)C(=O)N1

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

InChI: InChI=1/C18H19IN2O3S/c1-8-3-4-10-13(5-8)25-18-14(10)17(23)20-16(21-18)9-6-11(19)15(22)12(7-9)24-2/h6-8,16,21-22H,3-5H2,1-2H3,(H,20,23)

Composition: C (45.97%), H (4.07%), I (26.98%), N (5.96%), O (10.21%), S (6.82%)

Molar Mass: 470.33

Atom Count: 44

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	470.01611
Formal Charge	0
FSP3	0.39
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	YIKLNFAMXRHQHE-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	107.65
Topological Polar Surface Area	70.59
Polarizability	40.36
Ring Count	4
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H19IN2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00