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

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

Formula: C21H13ClN2O7

SMILES: OC(=O)C1=CC(=CC=C1Cl)C1=CC=C(O1)C=C1/C(=O)NC(=O)N(CC2=CC=CO2)C1=O

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

InChI: InChI=1S/C21H13ClN2O7/c22-16-5-3-11(8-14(16)20(27)28)17-6-4-12(31-17)9-15-18(25)23-21(29)24(19(15)26)10-13-2-1-7-30-13/h1-9H,10H2,(H,27,28)(H,23,25,29)/b15-9+

Composition: C (57.22%), H (2.97%), Cl (8.04%), N (6.36%), O (25.41%)

Molar Mass: 440.79

Atom Count: 44

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	440.0411285
Formal Charge	0
FSP3	0.05
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	PDOKWUQBHPRJOB-OQLLNIDSSA-N
Lipinski's Rule of Five	1
Molar Refractivity	107.49
Topological Polar Surface Area	130.06
Polarizability	41.53
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H13ClN2O7		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00