(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl {[5-(prop-2-en-1-yl)-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 {[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetate
(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl {[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 2683-0117 |
| Compound Name: | (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl {[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 459.48 |
| Molecular Formula: | C23 H17 N5 O4 S |
| Smiles: | C=CCn1c2ccccc2c2c1nc(nn2)SCC(=O)OCN1C(c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.418 |
| logD: | 3.418 |
| logSw: | -3.7715 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.491 |
| InChI Key: | ZMXWDSUZRJFYEZ-UHFFFAOYSA-N |