2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-isoindole-1,3(2H)-dione
2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8009-1391 |
| Compound Name: | 2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 274.3 |
| Molecular Formula: | C12 H10 N4 O2 S |
| Smiles: | Cn1cnnc1SCN1C(c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0003 |
| logD: | 1.0003 |
| logSw: | -2.2778 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.385 |
| InChI Key: | UFNWNLLGFMMPIU-UHFFFAOYSA-N |