6-(2-{[3-iodo-5-methoxy-4-(prop-2-yn-1-yloxy)phenyl]methyl}diazen-1-yl)-N-(4-iodophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine

6-(2-{[3-iodo-5-methoxy-4-(prop-2-yn-1-yloxy)phenyl]methyl}diazen-1-yl)-N-(4-iodophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine

Formula: C21H15I2N7O3

SMILES: COC1=CC(CN=NC2=NC3=NON=C3N=C2NC2=CC=C(I)C=C2)=CC(I)=C1OCC#C

IUPAC: 6-(2-{[3-iodo-5-methoxy-4-(prop-2-yn-1-yloxy)phenyl]methyl}diazen-1-yl)-N-(4-iodophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine

InChI: InChI=1S/C21H15I2N7O3/c1-3-8-32-17-15(23)9-12(10-16(17)31-2)11-24-28-19-18(25-14-6-4-13(22)5-7-14)26-20-21(27-19)30-33-29-20/h1,4-7,9-10H,8,11H2,2H3,(H,25,26,29)

Composition: C (37.80%), H (2.27%), I (38.04%), N (14.70%), O (7.19%)

Molar Mass: 667.206

Atom Count: 48

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	666.93258
Formal Charge	0
FSP3	0.14
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	1
InChIKey	HFCRHBCXRUBNLX-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	144.45
Topological Polar Surface Area	119.91
Polarizability	51.97
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H15I2N7O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00