2-{2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione
2-{2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8009-2797 |
| Compound Name: | 2-{2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 316.34 |
| Molecular Formula: | C14 H12 N4 O3 S |
| Smiles: | CC1C(NC(=NN=1)SCCN1C(c2ccccc2C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3406 |
| logD: | 1.2566 |
| logSw: | -2.4075 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.743 |
| InChI Key: | DYJWFJPUWBMLFK-UHFFFAOYSA-N |