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
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
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 |