(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl [(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
Chemical Structure Depiction of
(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl [(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl [(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 8007-4214 |
| Compound Name: | (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl [(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate |
| Molecular Weight: | 332.34 |
| Molecular Formula: | C14 H12 N4 O4 S |
| Smiles: | Cc1nnc([nH]1)SCC(=O)OCN1C(c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.584 |
| logD: | 0.1648 |
| logSw: | -2.3221 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.892 |
| InChI Key: | UVKSWJXKCSXRAB-UHFFFAOYSA-N |