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

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

Formula: C19H20IN3O4S

SMILES: CCOC(=O)N1CCC2=C(C1)SC1=C2C(=O)NC(N1)C1=CC(I)=CC(C)=C1O

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

InChI: InChI=1/C19H20IN3O4S/c1-3-27-19(26)23-5-4-11-13(8-23)28-18-14(11)17(25)21-16(22-18)12-7-10(20)6-9(2)15(12)24/h6-7,16,22,24H,3-5,8H2,1-2H3,(H,21,25)

Composition: C (44.45%), H (3.93%), I (24.72%), N (8.19%), O (12.47%), S (6.25%)

Molar Mass: 513.35

Atom Count: 48

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	513.02192
Formal Charge	0
FSP3	0.37
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	LBBPVYSKIKKNKQ-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	116.54
Topological Polar Surface Area	90.9
Polarizability	43.59
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H20IN3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00