4-(4-{[(5Z)-2,4,6-trioxo-1-(prop-2-en-1-yl)-1,3-diazinan-5-ylidene]methyl}phenoxymethyl)benzoic acid

4-(4-{[(5Z)-2,4,6-trioxo-1-(prop-2-en-1-yl)-1,3-diazinan-5-ylidene]methyl}phenoxymethyl)benzoic acid

Formula: C22H18N2O6

SMILES: OC(=O)C1=CC=C(COC2=CC=C(C=C3C(=O)NC(=O)N(CC=C)C3=O)C=C2)C=C1

IUPAC: 4-[(4-{[(5Z)-2,4,6-trioxo-1-(prop-2-en-1-yl)-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid

InChI: InChI=1S/C22H18N2O6/c1-2-11-24-20(26)18(19(25)23-22(24)29)12-14-5-9-17(10-6-14)30-13-15-3-7-16(8-4-15)21(27)28/h2-10,12H,1,11,13H2,(H,27,28)(H,23,25,29)/b18-12-

Composition: C (65.02%), H (4.46%), N (6.89%), O (23.62%)

Molar Mass: 406.394

Atom Count: 48

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	406.116486308
Formal Charge	0
FSP3	0.09
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	PIDMWPRMOFTTFY-PDGQHHTCSA-N
Lipinski's Rule of Five	1
Molar Refractivity	108.51
Topological Polar Surface Area	113.01
Polarizability	40.81
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H18N2O6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00