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

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

Formula: C18H20IN3O2S

SMILES: CCN1CCC2=C(C1)SC1=C2C(=O)NC(N1)C1=CC(I)=CC(C)=C1O

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

InChI: InChI=1/C18H20IN3O2S/c1-3-22-5-4-11-13(8-22)25-18-14(11)17(24)20-16(21-18)12-7-10(19)6-9(2)15(12)23/h6-7,16,21,23H,3-5,8H2,1-2H3,(H,20,24)

Composition: C (46.06%), H (4.30%), I (27.04%), N (8.95%), O (6.82%), S (6.83%)

Molar Mass: 469.34

Atom Count: 45

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	469.03209
Formal Charge	0
FSP3	0.39
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	KNVKZDZORHIUPX-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	110.64
Topological Polar Surface Area	64.6
Polarizability	41.13
Ring Count	4
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H20IN3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00