2-(4-{[(5E)-1-(2H-1,3-benzodioxol-5-yl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxymethyl)benzonitrile

2-(4-{[(5E)-1-(2H-1,3-benzodioxol-5-yl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxymethyl)benzonitrile

Formula: C26H17N3O6

SMILES: O=C1NC(=O)C(=C/C2=CC=C(OCC3=CC=CC=C3C#N)C=C2)C(=O)N1C1=CC=C2OCOC2=C1

IUPAC: 2-[(4-{[(5E)-1-(2H-1,3-benzodioxol-5-yl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzonitrile

InChI: InChI=1S/C26H17N3O6/c27-13-17-3-1-2-4-18(17)14-33-20-8-5-16(6-9-20)11-21-24(30)28-26(32)29(25(21)31)19-7-10-22-23(12-19)35-15-34-22/h1-12H,14-15H2,(H,28,30,32)/b21-11+

Composition: C (66.81%), H (3.67%), N (8.99%), O (20.54%)

Molar Mass: 467.437

Atom Count: 52

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	467.111735279
Formal Charge	0
FSP3	0.08
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
InChIKey	NGGXJBCKKPSGSY-SRZZPIQSSA-N
Lipinski's Rule of Five	1
Molar Refractivity	123.36
Topological Polar Surface Area	117.96
Polarizability	47.07
Ring Count	5
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H17N3O6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00