2-[2-(5-sulfanyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[2-(5-sulfanyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-isoindole-1,3(2H)-dione
2-[2-(5-sulfanyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8011-4730 |
| Compound Name: | 2-[2-(5-sulfanyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 274.3 |
| Molecular Formula: | C12 H10 N4 O2 S |
| Smiles: | C(CN1C(c2ccccc2C1=O)=O)c1nc([nH]n1)S |
| Stereo: | ACHIRAL |
| logP: | 1.1618 |
| logD: | 0.872 |
| logSw: | -2.0931 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.115 |
| InChI Key: | YHYSWWVEIHWRHQ-UHFFFAOYSA-N |