2-chloro-4-(5-{[(5Z)-1-(2-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid

2-chloro-4-(5-{[(5Z)-1-(2-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid

Formula: C23H15ClN2O6

SMILES: CC1=CC=CC=C1N1C(=O)NC(=O)C(=CC2=CC=C(O2)C2=CC=C(C(O)=O)C(Cl)=C2)C1=O

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

InChI: InChI=1S/C23H15ClN2O6/c1-12-4-2-3-5-18(12)26-21(28)16(20(27)25-23(26)31)11-14-7-9-19(32-14)13-6-8-15(22(29)30)17(24)10-13/h2-11H,1H3,(H,29,30)(H,25,27,31)/b16-11-

Composition: C (61.28%), H (3.35%), Cl (7.86%), N (6.21%), O (21.29%)

Molar Mass: 450.83

Atom Count: 47

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	450.0618639
Formal Charge	0
FSP3	0.04
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	HGPVKYZBJGYGRQ-WJDWOHSUSA-N
Lipinski's Rule of Five	1
Molar Refractivity	115.3
Topological Polar Surface Area	116.92
Polarizability	44.48
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H15ClN2O6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00