3-{[(5Z)-1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenyl 4-chlorobenzoate

3-{[(5Z)-1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenyl 4-chlorobenzoate

Formula: C26H19ClN2O5

SMILES: CCC1=CC=C(C=C1)N1C(=O)NC(=O)C(=CC2=CC=CC(OC(=O)C3=CC=C(Cl)C=C3)=C2)C1=O

IUPAC: 3-{[(5Z)-1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenyl 4-chlorobenzoate

InChI: InChI=1S/C26H19ClN2O5/c1-2-16-6-12-20(13-7-16)29-24(31)22(23(30)28-26(29)33)15-17-4-3-5-21(14-17)34-25(32)18-8-10-19(27)11-9-18/h3-15H,2H2,1H3,(H,28,30,33)/b22-15-

Composition: C (65.76%), H (4.03%), Cl (7.46%), N (5.90%), O (16.84%)

Molar Mass: 474.9

Atom Count: 53

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	474.0982494
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	RRXYQBZWTATSBM-JCMHNJIXSA-N
Lipinski's Rule of Five
Molar Refractivity	127.05
Topological Polar Surface Area	92.78
Polarizability	48.28
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H19ClN2O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00