N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(2-cyclopentylidenehydrazinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(2-cyclopentylidenehydrazinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(2-cyclopentylidenehydrazinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y502-2948 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(2-cyclopentylidenehydrazinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 374.42 |
| Molecular Formula: | C16 H18 N6 O3 S |
| Smiles: | C1CCC(C1)=NNc1nnc([nH]1)SCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.379 |
| logD: | 1.341 |
| logSw: | -2.3448 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.876 |
| InChI Key: | SCLCYIABWLEJNG-UHFFFAOYSA-N |