(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl [(1H-1,2,4-triazol-5-yl)sulfanyl]acetate
Chemical Structure Depiction of
(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl [(1H-1,2,4-triazol-5-yl)sulfanyl]acetate
(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl [(1H-1,2,4-triazol-5-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 8007-3838 |
| Compound Name: | (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl [(1H-1,2,4-triazol-5-yl)sulfanyl]acetate |
| Molecular Weight: | 318.31 |
| Molecular Formula: | C13 H10 N4 O4 S |
| Smiles: | C(N1C(c2ccccc2C1=O)=O)OC(CSc1ncn[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7739 |
| logD: | 0.5646 |
| logSw: | -2.333 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.926 |
| InChI Key: | PHRLOGFQXISOBS-UHFFFAOYSA-N |