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methyl 2-[(5Z)-3-(4-chlorophenyl)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate

methyl 2-[(5Z)-3-(4-chlorophenyl)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate

Formula: C20H17ClN2O3S

SMILES: COC(=O)CN1C(=S)N(C(=O)C1=CC1=CC=C(C)C=C1)C1=CC=C(Cl)C=C1

IUPAC: methyl 2-[(5Z)-3-(4-chlorophenyl)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate

InChI: InChI=1S/C20H17ClN2O3S/c1-13-3-5-14(6-4-13)11-17-19(25)23(16-9-7-15(21)8-10-16)20(27)22(17)12-18(24)26-2/h3-11H,12H2,1-2H3/b17-11-

Composition: C (59.92%), H (4.27%), Cl (8.84%), N (6.99%), O (11.97%), S (8.00%)

Molar Mass: 400.88

Atom Count: 44

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 400.0648413
Formal Charge 0
FSP3 0.15
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey OFEQFIZLIFXUNX-BOPFTXTBSA-N
Lipinski's Rule of Five 1
Molar Refractivity 109.99
Topological Polar Surface Area 49.85
Polarizability 42.01
Ring Count 3
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C20H17ClN2O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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