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methyl 2-[(5Z)-5-({4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}methylidene)-3-methyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate

methyl 2-[(5Z)-5-({4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}methylidene)-3-methyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate

Formula: C22H21ClN2O5S

SMILES: COC(=O)CN1C(=S)N(C)C(=O)C1=CC1=CC=C(OCC2=CC=C(Cl)C=C2)C(OC)=C1

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

InChI: InChI=1S/C22H21ClN2O5S/c1-24-21(27)17(25(22(24)31)12-20(26)29-3)10-15-6-9-18(19(11-15)28-2)30-13-14-4-7-16(23)8-5-14/h4-11H,12-13H2,1-3H3/b17-10-

Composition: C (57.33%), H (4.59%), Cl (7.69%), N (6.08%), O (17.36%), S (6.96%)

Molar Mass: 460.93

Atom Count: 52

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 460.0859707
Formal Charge 0
FSP3 0.23
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey IJZURKSVHLKMLA-YVLHZVERSA-N
Lipinski's Rule of Five 1
Molar Refractivity 122.71
Topological Polar Surface Area 68.31
Polarizability 47.15
Ring Count 3
Rotatable Bond Count 8

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C22H21ClN2O5S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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