5-(hydroxymethyl)-1'-[(4-methylpiperidin-1-yl)methyl]-5-nitrospiro[[1,3]dioxane-2,3'-indol]-2'(1'H)-one
Chemical Structure Depiction of
5-(hydroxymethyl)-1'-[(4-methylpiperidin-1-yl)methyl]-5-nitrospiro[[1,3]dioxane-2,3'-indol]-2'(1'H)-one
5-(hydroxymethyl)-1'-[(4-methylpiperidin-1-yl)methyl]-5-nitrospiro[[1,3]dioxane-2,3'-indol]-2'(1'H)-one
Compound characteristics
| Compound ID: | 8011-7987 |
| Compound Name: | 5-(hydroxymethyl)-1'-[(4-methylpiperidin-1-yl)methyl]-5-nitrospiro[[1,3]dioxane-2,3'-indol]-2'(1'H)-one |
| Molecular Weight: | 391.42 |
| Molecular Formula: | C19 H25 N3 O6 |
| Smiles: | CC1CCN(CC1)CN1C(C2(c3ccccc13)OCC(CO)(CO2)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9682 |
| logD: | -0.8946 |
| logSw: | -2.4679 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.749 |
| InChI Key: | SAKBIDSEABOFDE-UHFFFAOYSA-N |