dimethyl 2,2'-[(1,4-dioxobut-2-ene-1,4-diyl)bis(azanediyl)]di(5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate)
Chemical Structure Depiction of
dimethyl 2,2'-[(1,4-dioxobut-2-ene-1,4-diyl)bis(azanediyl)]di(5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate)
dimethyl 2,2'-[(1,4-dioxobut-2-ene-1,4-diyl)bis(azanediyl)]di(5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate)
Compound characteristics
| Compound ID: | 4052-3055 |
| Compound Name: | dimethyl 2,2'-[(1,4-dioxobut-2-ene-1,4-diyl)bis(azanediyl)]di(5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate) |
| Molecular Weight: | 474.55 |
| Molecular Formula: | C22 H22 N2 O6 S2 |
| Smiles: | COC(c1c2CCCc2sc1NC(/C=C/C(Nc1c(C(=O)OC)c2CCCc2s1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8229 |
| logD: | -0.2657 |
| logSw: | -4.2252 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.775 |
| InChI Key: | YBDRWURUVLBYBJ-UHFFFAOYSA-N |