1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 8018-4848 |
| Compound Name: | 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 277.3 |
| Molecular Formula: | C12 H11 N3 O3 S |
| Smiles: | C1COc2cc(ccc2O1)C(CSc1nnc[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.1633 |
| logD: | -0.202 |
| logSw: | -2.259 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.462 |
| InChI Key: | FUZRMCQAZVTKFG-UHFFFAOYSA-N |