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

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

Formula: C21H18ClFN2O4S

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

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

InChI: InChI=1S/C21H18ClFN2O4S/c1-24-20(27)17(25(21(24)30)11-19(26)28-2)10-14-5-8-18(16(22)9-14)29-12-13-3-6-15(23)7-4-13/h3-10H,11-12H2,1-2H3/b17-10-

Composition: C (56.19%), H (4.04%), Cl (7.90%), F (4.23%), N (6.24%), O (14.26%), S (7.14%)

Molar Mass: 448.89

Atom Count: 48

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 448.0659841
Formal Charge 0
FSP3 0.19
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey NWCAGZYWQBKXBW-YVLHZVERSA-N
Lipinski's Rule of Five 1
Molar Refractivity 116.46
Topological Polar Surface Area 59.08
Polarizability 44.34
Ring Count 3
Rotatable Bond Count 7

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C21H18ClFN2O4S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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