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

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

Formula: C20H18N2O6S

SMILES: CCC1=CC=C(C=C1)N1C(=O)NC(=O)C(=CC2=CC=C(OS(C)(=O)=O)C=C2)C1=O

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

InChI: InChI=1S/C20H18N2O6S/c1-3-13-4-8-15(9-5-13)22-19(24)17(18(23)21-20(22)25)12-14-6-10-16(11-7-14)28-29(2,26)27/h4-12H,3H2,1-2H3,(H,21,23,25)/b17-12-

Composition: C (57.96%), H (4.38%), N (6.76%), O (23.16%), S (7.74%)

Molar Mass: 414.43

Atom Count: 47

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	414.088557482
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	SMHTXWCJLXXFEI-ATVHPVEESA-N
Lipinski's Rule of Five	1
Molar Refractivity	105.17
Topological Polar Surface Area	109.85
Polarizability	40.99
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H18N2O6S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00