(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl [(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate
Chemical Structure Depiction of
(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl [(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate
(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl [(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 2683-0044 |
| Compound Name: | (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl [(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate |
| Molecular Weight: | 419.42 |
| Molecular Formula: | C20 H13 N5 O4 S |
| Smiles: | C(N1C(c2ccccc2C1=O)=O)OC(CSc1nc2c(c3ccccc3[nH]2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1938 |
| logD: | 2.1938 |
| logSw: | -2.9648 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.069 |
| InChI Key: | JCLQBAYDHSIOFG-UHFFFAOYSA-N |