2-({[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}methyl)-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-({[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}methyl)-1H-isoindole-1,3(2H)-dione
2-({[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}methyl)-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8009-1325 |
| Compound Name: | 2-({[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}methyl)-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 465.53 |
| Molecular Formula: | C26 H19 N5 O2 S |
| Smiles: | C(Cn1c2ccccc2c2c1nc(nn2)SCN1C(c2ccccc2C1=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8298 |
| logD: | 4.8298 |
| logSw: | -4.9899 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.338 |
| InChI Key: | CGPGYCAQVLJTKY-UHFFFAOYSA-N |