2-{[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-1H-isoindole-1,3(2H)-dione
2-{[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8006-8661 |
| Compound Name: | 2-{[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 302.31 |
| Molecular Formula: | C13 H10 N4 O3 S |
| Smiles: | CC1C(NC(=NN=1)SCN1C(c2ccccc2C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4935 |
| logD: | 1.3711 |
| logSw: | -2.4779 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.893 |
| InChI Key: | OJJAVQJCOZXRBN-UHFFFAOYSA-N |