(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl {[5-(2-phenylethyl)-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-(2-phenylethyl)-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-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 8009-4408 |
| Compound Name: | (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl {[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 523.57 |
| Molecular Formula: | C28 H21 N5 O4 S |
| Smiles: | C(Cn1c2ccccc2c2c1nc(nn2)SCC(=O)OCN1C(c2ccccc2C1=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5197 |
| logD: | 4.5197 |
| logSw: | -4.4718 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.219 |
| InChI Key: | SWFIVIXZBNNVCC-UHFFFAOYSA-N |