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

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

Formula: C19H21IN2O3S

SMILES: CCOC1=CC(=CC(I)=C1O)C1NC2=C(C3=C(CC(C)CC3)S2)C(=O)N1

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

InChI: InChI=1/C19H21IN2O3S/c1-3-25-13-8-10(7-12(20)16(13)23)17-21-18(24)15-11-5-4-9(2)6-14(11)26-19(15)22-17/h7-9,17,22-23H,3-6H2,1-2H3,(H,21,24)

Composition: C (47.12%), H (4.37%), I (26.20%), N (5.78%), O (9.91%), S (6.62%)

Molar Mass: 484.35

Atom Count: 47

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	484.03176
Formal Charge	0
FSP3	0.42
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	LHZPLGBKGLLTJM-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	112.4
Topological Polar Surface Area	70.59
Polarizability	42.17
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H21IN2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00