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

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

Formula: C22H12ClFN2O5S

SMILES: OC(=O)C1=CC=C(Cl)C(=C1)C1=CC=C(O1)C=C1C(=O)NC(=S)N(C1=O)C1=CC=C(F)C=C1

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

InChI: InChI=1S/C22H12ClFN2O5S/c23-17-7-1-11(21(29)30)9-15(17)18-8-6-14(31-18)10-16-19(27)25-22(32)26(20(16)28)13-4-2-12(24)3-5-13/h1-10H,(H,29,30)(H,25,27,32)/b16-10-

Composition: C (56.12%), H (2.57%), Cl (7.53%), F (4.03%), N (5.95%), O (16.99%), S (6.81%)

Molar Mass: 470.86

Atom Count: 44

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 470.0139485
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey SVNQTRAVBZYHNQ-YBEGLDIGSA-N
Lipinski's Rule of Five 1
Molar Refractivity 118.47
Topological Polar Surface Area 99.85
Polarizability 45.76
Ring Count 4
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C22H12ClFN2O5S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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