ethyl 4-[8-(4-methoxyphenyl)-5,7-dioxo-2-sulfanylidene-3,4a,5,7,7a,8-hexahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazol-6(2H)-yl]benzoate

Chemical Structure Depiction of
ethyl 4-[8-(4-methoxyphenyl)-5,7-dioxo-2-sulfanylidene-3,4a,5,7,7a,8-hexahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazol-6(2H)-yl]benzoate
Available: 216 mg
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mg
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Compound characteristics

Compound ID: D057-0118
Compound Name: ethyl 4-[8-(4-methoxyphenyl)-5,7-dioxo-2-sulfanylidene-3,4a,5,7,7a,8-hexahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazol-6(2H)-yl]benzoate
Molecular Weight: 512.62
Molecular Formula: C24 H20 N2 O5 S3
Smiles: CCOC(c1ccc(cc1)N1C(C2C(C3=C(NC(=S)S3)SC2C1=O)c1ccc(cc1)OC)=O)=O
Stereo: MIXTURE OF STEREOISOMERS
logP: 4.2033
logD: 4.1836
logSw: -4.2833
Hydrogen bond acceptors count: 12
Hydrogen bond donors count: 1
Polar surface area: 67.153
InChI Key: PWMUKQAOIMUUIX-UHFFFAOYSA-N
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