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(5Z)-5-{[5-(5-chloro-2-methylphenyl)furan-2-yl]methylidene}-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

(5Z)-5-{[5-(5-chloro-2-methylphenyl)furan-2-yl]methylidene}-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Formula: C22H14ClFN2O3S

SMILES: CC1=CC=C(Cl)C=C1C1=CC=C(O1)C=C1C(=O)NC(=S)N(C1=O)C1=CC=C(F)C=C1

IUPAC: (5Z)-5-{[5-(5-chloro-2-methylphenyl)furan-2-yl]methylidene}-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

InChI: InChI=1S/C22H14ClFN2O3S/c1-12-2-3-13(23)10-17(12)19-9-8-16(29-19)11-18-20(27)25-22(30)26(21(18)28)15-6-4-14(24)5-7-15/h2-11H,1H3,(H,25,27,30)/b18-11-

Composition: C (59.94%), H (3.20%), Cl (8.04%), F (4.31%), N (6.35%), O (10.89%), S (7.27%)

Molar Mass: 440.87

Atom Count: 44

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 440.0397694
Formal Charge 0
FSP3 0.05
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey QLIIKULHWYCXJK-WQRHYEAKSA-N
Lipinski's Rule of Five
Molar Refractivity 116.25
Topological Polar Surface Area 62.55
Polarizability 45.11
Ring Count 4
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C22H14ClFN2O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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