3-(4-{[(5E)-1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxymethyl)benzoic acid

3-(4-{[(5E)-1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxymethyl)benzoic acid

Formula: C27H22N2O6

SMILES: CCC1=CC=C(C=C1)N1C(=O)NC(=O)C(=C/C2=CC=C(OCC3=CC=CC(=C3)C(O)=O)C=C2)C1=O

IUPAC: 3-[(4-{[(5E)-1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid

InChI: InChI=1S/C27H22N2O6/c1-2-17-6-10-21(11-7-17)29-25(31)23(24(30)28-27(29)34)15-18-8-12-22(13-9-18)35-16-19-4-3-5-20(14-19)26(32)33/h3-15H,2,16H2,1H3,(H,32,33)(H,28,30,34)/b23-15+

Composition: C (68.93%), H (4.71%), N (5.95%), O (20.40%)

Molar Mass: 470.481

Atom Count: 57

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	470.147786436
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	IRNCXWCSDGNGGD-HZHRSRAPSA-N
Lipinski's Rule of Five	1
Molar Refractivity	128.77
Topological Polar Surface Area	113.01
Polarizability	48.68
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H22N2O6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00