dimethyl 2,2'-[(1,5-dioxopentane-1,5-diyl)bis(azanediyl)]di(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate)
Chemical Structure Depiction of
dimethyl 2,2'-[(1,5-dioxopentane-1,5-diyl)bis(azanediyl)]di(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate)
dimethyl 2,2'-[(1,5-dioxopentane-1,5-diyl)bis(azanediyl)]di(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate)
Compound characteristics
| Compound ID: | Y500-1167 |
| Compound Name: | dimethyl 2,2'-[(1,5-dioxopentane-1,5-diyl)bis(azanediyl)]di(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate) |
| Molecular Weight: | 574.76 |
| Molecular Formula: | C29 H38 N2 O6 S2 |
| Smiles: | COC(c1c2CCCCCCc2sc1NC(CCCC(Nc1c(C(=O)OC)c2CCCCCCc2s1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8184 |
| logD: | 3.4947 |
| logSw: | -5.3699 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.705 |
| InChI Key: | FOXIDORLJFTCST-UHFFFAOYSA-N |