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

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

Formula: C22H12Cl2N2O5S

SMILES: OC(=O)C1=CC=C(Cl)C(=C1)C1=CC=C(O1)C=C1/C(=O)NC(=S)N(C1=O)C1=CC(Cl)=CC=C1

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

InChI: InChI=1S/C22H12Cl2N2O5S/c23-12-2-1-3-13(9-12)26-20(28)16(19(27)25-22(26)32)10-14-5-7-18(31-14)15-8-11(21(29)30)4-6-17(15)24/h1-10H,(H,29,30)(H,25,27,32)/b16-10+

Composition: C (54.22%), H (2.48%), Cl (14.55%), N (5.75%), O (16.42%), S (6.58%)

Molar Mass: 487.31

Atom Count: 44

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	485.9843981
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	PCSSGPWHLIHJIK-MHWRWJLKSA-N
Lipinski's Rule of Five
Molar Refractivity	123.06
Topological Polar Surface Area	99.85
Polarizability	47.95
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H12Cl2N2O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00