2-{2-[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{2-[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione
2-{2-[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 6404-0069 |
| Compound Name: | 2-{2-[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 353.4 |
| Molecular Formula: | C17 H15 N5 O2 S |
| Smiles: | Cc1cc(C)n2c(nnc2n1)SCCN1C(c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4204 |
| logD: | 1.4204 |
| logSw: | -2.3098 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.156 |
| InChI Key: | OYUILPOZIIPORH-UHFFFAOYSA-N |