(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl [(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl [(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl]acetate
(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl [(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 8008-0674 |
| Compound Name: | (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl [(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl]acetate |
| Molecular Weight: | 393.38 |
| Molecular Formula: | C18 H11 N5 O4 S |
| Smiles: | C(N1C(c2ccccc2C1=O)=O)OC(CSc1c(C#N)cc(C#N)c(N)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5172 |
| logD: | 1.5172 |
| logSw: | -2.4144 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.058 |
| InChI Key: | BFLLTAKRZHGXFS-UHFFFAOYSA-N |