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

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

Formula: C21H25IN2O2S

SMILES: CCC(C)(C)C1CCC2=C(C1)SC1=C2C(=O)NC(N1)C1=CC=C(O)C(I)=C1

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

InChI: InChI=1/C21H25IN2O2S/c1-4-21(2,3)12-6-7-13-16(10-12)27-20-17(13)19(26)23-18(24-20)11-5-8-15(25)14(22)9-11/h5,8-9,12,18,24-25H,4,6-7,10H2,1-3H3,(H,23,26)

Composition: C (50.81%), H (5.08%), I (25.56%), N (5.64%), O (6.45%), S (6.46%)

Molar Mass: 496.41

Atom Count: 52

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	496.06814
Formal Charge	0
FSP3	0.48
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	LMQKLEBWAWGSFI-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	119.41
Topological Polar Surface Area	61.36
Polarizability	45.07
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H25IN2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00