2-{[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-isoindole-1,3(2H)-dione
2-{[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8007-4203 |
| Compound Name: | 2-{[(5-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: | Cc1nnc([nH]1)SCN1C(c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9645 |
| logD: | 0.5482 |
| logSw: | -2.3095 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.011 |
| InChI Key: | BLFVIJWZYUSVBN-UHFFFAOYSA-N |